[3,7-dimethoxy-2-(4-methoxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-6-yl] 4-methylbenzenesulfonate

Systemtic Name: [3,7-dimethoxy-2-(4-methoxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-6-yl] 4-methylbenzenesulfonate Openeye Name: [5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-chromen-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-6-yl] ester IUPAC Name: [5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-hydroxy-4-keto-3,7-dimethoxy-2-(4-methoxyphenyl)chromen-6-yl] ester Formula: C25H22O9S MolecularWeight: 498.50178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C2O)C(=O)C(=C(O3)C4=CC=C(C=C4)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C3C(=C2O)C(=O)C(=C(O3)C4=CC=C(C=C4)OC)OC)OC

InChI

InChI=1S/C25H22O9S/c1-14-5-11-17(12-6-14)35(28,29)34-24-19(31-3)13-18-20(21(24)26)22(27)25(32-4)23(33-18)15-7-9-16(30-2)10-8-15/h5-13,26H,1-4H3