Chemistry & Biochemicals

Cas#: 6975-98-0        Compound CID:  23415

Formula:  C₁₁H₂₄        Molecular Weight: 156.31

IUPAC Name: 2-methyldecane

SMILES: CCCCCCCCC(C)C

InChIKey: CNPVJWYWYZMPDS-UHFFFAOYSA-N

InChI: InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3

Cas#: 223120-71-6       

Formula:  C₃₂H₄₀FeP₂        Molecular Weight: 542.45

SMILES: C[C@@H]([C]1[CH][CH][CH][C]1P(C(C)(C)C)C(C)(C)C)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe]

Cas#: 55650-59-4       

Formula:  C₃₈H₃₇FeNP₂        Molecular Weight: 625.5

Cas#: 17026-42-5        Compound CID:  1550213

Formula:  C₁₈H₁₄O₈        Molecular Weight: 358.3

IUPAC Name: (2S,3S)-2,3-dibenzoyloxybutanedioic acid

SMILES: C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

InChIKey: YONLFQNRGZXBBF-KBPBESRZSA-N

InChI: InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m0/s1

Cas#: 209736-59-4        Compound CID:  71306285

Formula:  C₁₀H₁₇BrO₅S        Molecular Weight: 329.21

IUPAC Name: [(1S,3S,4S)-3-bromo-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;hydrate

SMILES: CC1(C2CCC1(C(=O)C2Br)CS(=O)(=O)O)C.O

InChIKey: RQZLIPHNDCFLPR-OFVIFIGMSA-N

InChI: InChI=1S/C10H15BrO4S.H2O/c1-9(2)6-3-4-10(9,5-16(13,14)15)8(12)7(6)11;/h6-7H,3-5H2,1-2H3,(H,13,14,15);1H2/t6-,7+,10-;/m1./s1

Cas#: 1297613-75-2        Compound CID:  53306804

Formula:  C₃₃H₃₁O₄P        Molecular Weight: 522.6

IUPAC Name: 1,10-bis(3,5-dimethylphenyl)-12-hydroxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide

SMILES: CC1=CC(=CC(=C1)C2=C3C4=C(CCC45CCC6=C5C(=C(C=C6)C7=CC(=CC(=C7)C)C)OP(=O)(O3)O)C=C2)C

InChIKey: LABIHUYAKNNSLB-UHFFFAOYSA-N

InChI: InChI=1S/C33H31O4P/c1-19-13-20(2)16-25(15-19)27-7-5-23-9-11-33-12-10-24-6-8-28(26-17-21(3)14-22(4)18-26)32(30(24)33)37-38(34,35)36-31(27)29(23)33/h5-8,13-18H,9-12H2,1-4H3,(H,34,35)

Cas#: 46032-98-8        Compound CID:  6452039

Formula:  C₉H₁₃NO₂        Molecular Weight: 167.21

IUPAC Name: (1R,2R)-2-amino-1-phenylpropane-1,3-diol

SMILES: C1=CC=C(C=C1)C(C(CO)N)O

InChIKey: JUCGVCVPNPBJIG-RKDXNWHRSA-N

InChI: InChI=1S/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-,9-/m1/s1

Cas#: 958635-15-9        Compound CID:  23655051

Formula:  C₆H₁₁ClN₂O₂        Molecular Weight: 178.62

IUPAC Name: (8aS)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one;hydrochloride

SMILES: C1CN2C(CN1)COC2=O.Cl

InChIKey: NEFDJLDMYYSLHW-JEDNCBNOSA-N

InChI: InChI=1S/C6H10N2O2.ClH/c9-6-8-2-1-7-3-5(8)4-10-6;/h5,7H,1-4H2;1H/t5-;/m0./s1

Cas#: 1391506-12-9        Compound CID:  127258968

Formula:  C₂₀H₂₈Cl₃N₃O        Molecular Weight: 432.81

IUPAC Name: (R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanamine;trihydrochloride

SMILES: COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)N.Cl.Cl.Cl

InChIKey: GZXDEKGNTLNSGM-NJXLIEGQSA-N

InChI: InChI=1S/C20H25N3O.3ClH/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20H,1,7,9-10,12,21H2,2H3;3*1H/t13-,14-,19+,20+;;;/m0.../s1

Cas#: 1157867-61-2        Compound CID:  92132781

Formula:  C₃₅H₅₃ClN₂        Molecular Weight: 537.26

IUPAC Name: 1,3-bis[2,6-di(pentan-3-yl)phenyl]imidazol-1-ium;chloride

SMILES: CCC(CC)C1=C(C(=CC=C1)C(CC)CC)N2C=C[N+](=C2)C3=C(C=CC=C3C(CC)CC)C(CC)CC.[Cl-]

InChIKey: ODQOSTRWDUNLQB-UHFFFAOYSA-M

InChI: InChI=1S/C35H53N2.ClH/c1-9-26(10-2)30-19-17-20-31(27(11-3)12-4)34(30)36-23-24-37(25-36)35-32(28(13-5)14-6)21-18-22-33(35)29(15-7)16-8;/h17-29H,9-16H2,1-8H3;1H/q+1;/p-1

Cas#: 504-02-9        Compound CID:  10434

Formula:  C₆H₈O₂        Molecular Weight: 112.13

IUPAC Name: cyclohexane-1,3-dione

SMILES: C1CC(=O)CC(=O)C1

InChIKey: HJSLFCCWAKVHIW-UHFFFAOYSA-N

InChI: InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2

Cas#: 3859-41-4        Compound CID:  77466

Formula:  C₅H₆(=O)₂        Molecular Weight: 98.1

IUPAC Name: cyclopentane-1,3-dione

SMILES: C1CC(=O)CC1=O

InChIKey: LOGSONSNCYTHPS-UHFFFAOYSA-N

InChI: InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2