[(1R)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3,4-diethoxybenzenesulfonate

Systemtic Name: [(1R)-1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl] 3,4-diethoxybenzenesulfonate Openeye Name: [(1R)-1,7-dimethyl-3-oxo-indan-4-yl] 3,4-diethoxybenzenesulfonate CAS Name: 3,4-diethoxybenzenesulfonic acid [(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] ester IUPAC Name: [(1R)-1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl] 3,4-diethoxybenzenesulfonate Traditional Name: 3,4-diethoxybenzenesulfonic acid [(1R)-3-keto-1,7-dimethyl-indan-4-yl] ester Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=O)CC(C3=C(C=C2)C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)OC2=C3C(=O)C[C@H](C3=C(C=C2)C)C)OCC

InChI

InChI=1S/C21H24O6S/c1-5-25-17-10-8-15(12-19(17)26-6-2)28(23,24)27-18-9-7-13(3)20-14(4)11-16(22)21(18)20/h7-10,12,14H,5-6,11H2,1-4H3/t14-/m1/s1