tert-butyl 2-[1-[(4Z)-7a-methyl-4-[(2E)-2-[2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethylsulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[1-[(4Z)-7a-methyl-4-[(2E)-2-[2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethylsulfanyl]ethanoate Openeye Name: tert-butyl 2-[1-[(4Z)-4-[(2E)-2-(3,5-dihydroxy-2-methylene-cyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethylsulfanyl]acetate CAS Name: 2-[1-[(4Z)-4-[(2E)-2-(3,5-dihydroxy-2-methylenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethylthio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[(4Z)-4-[(2E)-2-(3,5-dihydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethylsulfanyl]acetate Traditional Name: 2-[1-[(4Z)-4-[(2E)-2-(3,5-dihydroxy-2-methylene-cyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]ethylthio]acetic acid tert-butyl ester Formula: C27H40O4S MolecularWeight: 460.6691

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)SCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CCC\2C1(CCC/C2=C/C=C/3\CC(CC(C3=C)O)O)C)SCC(=O)OC(C)(C)C

InChI

InChI=1S/C27H40O4S/c1-17-20(14-21(28)15-24(17)29)10-9-19-8-7-13-27(6)22(11-12-23(19)27)18(2)32-16-25(30)31-26(3,4)5/h9-11,18,21,23-24,28-29H,1,7-8,12-16H2,2-6H3/b19-9-,20-10+