methyl 3-[(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl)oxysulfonyl]benzoate

Systemtic Name: methyl 3-[(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl)oxysulfonyl]benzoate Openeye Name: methyl 3-(1,7-dimethyl-3-oxo-indan-4-yl)oxysulfonylbenzoate CAS Name: 3-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxysulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl)oxysulfonyl]benzoate Traditional Name: 3-(3-keto-1,7-dimethyl-indan-4-yl)oxysulfonylbenzoic acid methyl ester Formula: C19H18O6S MolecularWeight: 374.40762

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C19H18O6S/c1-11-7-8-16(18-15(20)9-12(2)17(11)18)25-26(22,23)14-6-4-5-13(10-14)19(21)24-3/h4-8,10,12H,9H2,1-3H3