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

Systemtic Name: [2-(4-methoxyphenyl)-3,5,7-tris(oxidanyl)-4-oxidanylidene-chromen-6-yl] 4-methylbenzenesulfonate Openeye Name: [3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxo-chromen-6-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-6-yl] ester IUPAC Name: [3,5,7-trihydroxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3,5,7-trihydroxy-4-keto-2-(4-methoxyphenyl)chromen-6-yl] ester Formula: C23H18O9S MolecularWeight: 470.44862

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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)O)O

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)O)O

InChI

InChI=1S/C23H18O9S/c1-12-3-9-15(10-4-12)33(28,29)32-23-16(24)11-17-18(20(23)26)19(25)21(27)22(31-17)13-5-7-14(30-2)8-6-13/h3-11,24,26-27H,1-2H3