[3-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl] benzenesulfonate

Systemtic Name: [3-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl] benzenesulfonate Openeye Name: [5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-7-yl] benzenesulfonate CAS Name: benzenesulfonic acid [5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-hydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-7-yl] ester Formula: C21H14O7S MolecularWeight: 410.39666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(C=C4)O)O

InChI

InChI=1S/C21H14O7S/c22-14-8-6-13(7-9-14)17-12-27-19-11-15(10-18(23)20(19)21(17)24)28-29(25,26)16-4-2-1-3-5-16/h1-12,22-23H