[(1S,4aS)-1,4a-dimethyl-2-oxidanylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,4aS)-1,4a-dimethyl-2-oxidanylidene-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,4aS)-7-isopropyl-1,4a-dimethyl-2-oxo-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,4aS)-1,4a-dimethyl-2-oxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl ester IUPAC Name: [(1S,4aS)-1,4a-dimethyl-2-oxo-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,4aS)-7-isopropyl-2-keto-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-1-yl]methyl ester Formula: C27H34O4S MolecularWeight: 454.62146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C3CCC4=C(C3(CCC2=O)C)C=CC(=C4)C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@]2(C3CCC4=C([C@]3(CCC2=O)C)C=CC(=C4)C(C)C)C

InChI

InChI=1S/C27H34O4S/c1-18(2)20-8-12-23-21(16-20)9-13-24-26(23,4)15-14-25(28)27(24,5)17-31-32(29,30)22-10-6-19(3)7-11-22/h6-8,10-12,16,18,24H,9,13-15,17H2,1-5H3/t24?,26-,27-/m1/s1