[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3,4-dimethoxyphenyl)-4-keto-5,7-dimethyl-chromen-3-yl] ester Formula: C26H24O7S MolecularWeight: 480.52956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=CC(=CC(=C3C2=O)C)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=CC(=CC(=C3C2=O)C)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H24O7S/c1-15-6-9-19(10-7-15)34(28,29)33-26-24(27)23-17(3)12-16(2)13-22(23)32-25(26)18-8-11-20(30-4)21(14-18)31-5/h6-14H,1-5H3