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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxidanylidene-chromen-6-yl] 4-methoxybenzenesulfonate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-chromen-6-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [3-(3,4-dimethoxyphenyl)-2-keto-4-methyl-chromen-6-yl] ester Formula: C25H22O8S MolecularWeight: 482.50238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H22O8S/c1-15-20-14-18(33-34(27,28)19-9-6-17(29-2)7-10-19)8-12-21(20)32-25(26)24(15)16-5-11-22(30-3)23(13-16)31-4/h5-14H,1-4H3