(2-methyl-2-oxidanyl-3-oxidanylidene-1H-inden-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-2-oxidanyl-3-oxidanylidene-1H-inden-1-yl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-2-methyl-3-oxo-indan-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-2-methyl-3-oxo-1H-inden-1-yl) ester IUPAC Name: (2-hydroxy-2-methyl-3-oxo-1H-inden-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-3-keto-2-methyl-indan-1-yl) ester Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3=CC=CC=C3C(=O)C2(C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C3=CC=CC=C3C(=O)C2(C)O

InChI

InChI=1S/C17H16O5S/c1-11-7-9-12(10-8-11)23(20,21)22-16-14-6-4-3-5-13(14)15(18)17(16,2)19/h3-10,16,19H,1-2H3