[7a-methyl-5-oxidanylidene-4-(phenylsulfonylmethyl)-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl] benzoate

Systemtic Name: [7a-methyl-5-oxidanylidene-4-(phenylsulfonylmethyl)-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl] benzoate Openeye Name: [4-(benzenesulfonylmethyl)-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl] benzoate CAS Name: benzoic acid [4-(benzenesulfonylmethyl)-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl] ester IUPAC Name: [4-(benzenesulfonylmethyl)-7a-methyl-5-oxo-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl] benzoate Traditional Name: benzoic acid [4-(besylmethyl)-5-keto-7a-methyl-2,3,3a,4,6,7-hexahydro-1H-inden-1-yl] ester Formula: C24H26O5S MolecularWeight: 426.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C(C1CCC2OC(=O)C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC12CCC(=O)C(C1CCC2OC(=O)C3=CC=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H26O5S/c1-24-15-14-21(25)19(16-30(27,28)18-10-6-3-7-11-18)20(24)12-13-22(24)29-23(26)17-8-4-2-5-9-17/h2-11,19-20,22H,12-16H2,1H3