[7,8-dimethoxy-2-(4-methoxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [7,8-dimethoxy-2-(4-methoxyphenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] 4-methylbenzenesulfonate Openeye Name: [5,6-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxo-chromen-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5,6-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [5,6-dihydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)-4-oxochromen-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5,6-dihydroxy-4-keto-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-3-yl] ester Formula: C25H22O10S MolecularWeight: 514.50118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=C(C2=O)C(=C(C(=C3OC)OC)O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(OC3=C(C2=O)C(=C(C(=C3OC)OC)O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H22O10S/c1-13-5-11-16(12-6-13)36(29,30)35-24-19(27)17-18(26)20(28)23(32-3)25(33-4)22(17)34-21(24)14-7-9-15(31-2)10-8-14/h5-12,26,28H,1-4H3