[(1S,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydro-1H-inden-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,7aS)-7a-methyl-5-oxidanylidene-2,3,6,7-tetrahydro-1H-inden-1-yl] 4-methylbenzenesulfonate Openeye Name: [(1S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] ester IUPAC Name: [(1S,7aS)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,7aS)-5-keto-7a-methyl-2,3,6,7-tetrahydro-1H-inden-1-yl] ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3=CC(=O)CCC23C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCC3=CC(=O)CC[C@]23C

InChI

InChI=1S/C17H20O4S/c1-12-3-6-15(7-4-12)22(19,20)21-16-8-5-13-11-14(18)9-10-17(13,16)2/h3-4,6-7,11,16H,5,8-10H2,1-2H3/t16-,17-/m0/s1