2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 12-propan-2-ylsulfanyldodecanoate

Systemtic Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 12-propan-2-ylsulfanyldodecanoate Openeye Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 12-isopropylsulfanyldodecanoate CAS Name: 12-(propan-2-ylthio)dodecanoic acid 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl ester IUPAC Name: 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl 12-propan-2-ylsulfanyldodecanoate Traditional Name: 12-(isopropylthio)lauric acid 2-[(1R,3aS,3bS,5aR,9aR,9bS,11aS)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]propyl ester Formula: C37H65NO3S MolecularWeight: 603.9819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCCCCC(=O)OCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C

Isomeric SMILES

CC(C)SCCCCCCCCCCCC(=O)OCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C

InChI

InChI=1S/C37H65NO3S/c1-27(2)42-25-15-13-11-9-7-8-10-12-14-16-35(40)41-26-28(3)30-18-19-31-29-17-20-33-37(5,24-22-34(39)38(33)6)32(29)21-23-36(30,31)4/h27-33H,7-26H2,1-6H3/t28?,29-,30+,31-,32-,33+,36+,37+/m0/s1