[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxidanylidene-chromen-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxidanylidene-chromen-6-yl] 4-methylbenzenesulfonate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-chromen-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-1-benzopyran-6-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxochromen-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(3,4-dimethoxyphenyl)-2-keto-4-methyl-chromen-6-yl] ester Formula: C25H22O7S MolecularWeight: 466.50298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)C(=C3C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)OC(=O)C(=C3C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H22O7S/c1-15-5-9-19(10-6-15)33(27,28)32-18-8-12-21-20(14-18)16(2)24(25(26)31-21)17-7-11-22(29-3)23(13-17)30-4/h5-14H,1-4H3