[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] benzenesulfonate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxidanylidene-chromen-3-yl] benzenesulfonate Openeye Name: [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-chromen-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(3,4-dimethoxyphenyl)-4-keto-6,7-dimethyl-chromen-3-yl] ester Formula: C25H22O7S MolecularWeight: 466.50298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OS(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)OS(=O)(=O)C4=CC=CC=C4)C

InChI

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