1-[(1S,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]ethyl 12-tert-butylsulfanyldodecanoate

Systemtic Name: 1-[(1S,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]ethyl 12-tert-butylsulfanyldodecanoate Openeye Name: 1-[(1S,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]ethyl 12-tert-butylsulfanyldodecanoate CAS Name: 12-(tert-butylthio)dodecanoic acid 1-[(1S,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]ethyl ester IUPAC Name: 1-[(1S,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]ethyl 12-tert-butylsulfanyldodecanoate Traditional Name: 12-(tert-butylthio)lauric acid 1-[(1S,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]ethyl ester Formula: C37H65NO3S MolecularWeight: 603.9819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C)OC(=O)CCCCCCCCCCCSC(C)(C)C

Isomeric SMILES

CC([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)OC(=O)CCCCCCCCCCCSC(C)(C)C

InChI

InChI=1S/C37H65NO3S/c1-27(41-34(40)17-15-13-11-9-8-10-12-14-16-26-42-35(2,3)4)29-19-20-30-28-18-21-32-37(6,25-23-33(39)38(32)7)31(28)22-24-36(29,30)5/h27-32H,8-26H2,1-7H3/t27?,28-,29+,30-,31-,32+,36+,37+/m0/s1