[(1,1-dimethyl-2-oxidanyl-3-oxidanylidene-inden-2-yl)-phenyl-methyl] 4-methylbenzenesulfonate

Systemtic Name: [(1,1-dimethyl-2-oxidanyl-3-oxidanylidene-inden-2-yl)-phenyl-methyl] 4-methylbenzenesulfonate Openeye Name: [(2-hydroxy-1,1-dimethyl-3-oxo-indan-2-yl)-phenyl-methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2-hydroxy-1,1-dimethyl-3-oxo-2-indenyl)-phenylmethyl] ester IUPAC Name: [(2-hydroxy-1,1-dimethyl-3-oxoinden-2-yl)-phenylmethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2-hydroxy-3-keto-1,1-dimethyl-indan-2-yl)-phenyl-methyl] ester Formula: C25H24O5S MolecularWeight: 436.52006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3(C)C)O

InChI

InChI=1S/C25H24O5S/c1-17-13-15-19(16-14-17)31(28,29)30-23(18-9-5-4-6-10-18)25(27)22(26)20-11-7-8-12-21(20)24(25,2)3/h4-16,23,27H,1-3H3