[(1S,4aS)-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydrophenanthren-1-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(1S,4aS)-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydrophenanthren-1-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(1S,4aS)-7-isopropyl-1,4a-dimethyl-4,9,10,10a-tetrahydrophenanthren-1-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,4aS)-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydrophenanthren-1-yl]methyl ester IUPAC Name: [(1S,4aS)-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydrophenanthren-1-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,4aS)-7-isopropyl-1,4a-dimethyl-4,9,10,10a-tetrahydrophenanthren-1-yl]methyl ester Formula: C27H34O3S MolecularWeight: 438.62206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(C=CCC3(C2CCC4=C3C=CC(=C4)C(C)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@]2(C=CC[C@]3(C2CCC4=C3C=CC(=C4)C(C)C)C)C

InChI

InChI=1S/C27H34O3S/c1-19(2)21-9-13-24-22(17-21)10-14-25-26(4,15-6-16-27(24,25)5)18-30-31(28,29)23-11-7-20(3)8-12-23/h6-9,11-13,15,17,19,25H,10,14,16,18H2,1-5H3/t25?,26-,27-/m1/s1