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

Systemtic Name: [7a-methyl-5-oxidanylidene-4-(phenylsulfonylmethyl)-2,3,6,7-tetrahydro-1H-inden-1-yl] 2,2-dimethylpropanoate Openeye Name: [4-(benzenesulfonylmethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-(benzenesulfonylmethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] ester IUPAC Name: [4-(benzenesulfonylmethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydro-1H-inden-1-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(besylmethyl)-5-keto-7a-methyl-2,3,6,7-tetrahydro-1H-inden-1-yl] ester Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O5S/c1-21(2,3)20(24)27-19-11-10-17-16(18(23)12-13-22(17,19)4)14-28(25,26)15-8-6-5-7-9-15/h5-9,19H,10-14H2,1-4H3