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

Systemtic Name: [2-(4-methoxyphenyl)-6,7-bis(oxidanyl)-4-oxidanylidene-chromen-5-yl] 4-methylbenzenesulfonate Openeye Name: [6,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-chromen-5-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-5-yl] ester IUPAC Name: [6,7-dihydroxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6,7-dihydroxy-4-keto-2-(4-methoxyphenyl)chromen-5-yl] ester Formula: C23H18O8S MolecularWeight: 454.44922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2O)O)OC(=CC3=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2O)O)OC(=CC3=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H18O8S/c1-13-3-9-16(10-4-13)32(27,28)31-23-21-17(24)11-19(14-5-7-15(29-2)8-6-14)30-20(21)12-18(25)22(23)26/h3-12,25-26H,1-2H3