bis[2-[3,4-bis(oxidanyl)phenyl]-3,6-dimethoxy-5-oxidanyl-4-oxidanylidene-chromen-7-yl] sulfate

Systemtic Name: bis[2-[3,4-bis(oxidanyl)phenyl]-3,6-dimethoxy-5-oxidanyl-4-oxidanylidene-chromen-7-yl] sulfate Openeye Name: bis[2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxo-chromen-7-yl] sulfate CAS Name: sulfuric acid bis[2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: bis[2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxochromen-7-yl] sulfate Traditional Name: sulfuric acid bis[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-keto-3,6-dimethoxy-chromen-7-yl] ester Formula: C34H26O18S MolecularWeight: 754.62444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OS(=O)(=O)OC4=C(C(=C5C(=C4)OC(=C(C5=O)OC)C6=CC(=C(C=C6)O)O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OS(=O)(=O)OC4=C(C(=C5C(=C4)OC(=C(C5=O)OC)C6=CC(=C(C=C6)O)O)O)OC

InChI

InChI=1S/C34H26O18S/c1-45-31-21(11-19-23(25(31)39)27(41)33(47-3)29(49-19)13-5-7-15(35)17(37)9-13)51-53(43,44)52-22-12-20-24(26(40)32(22)46-2)28(42)34(48-4)30(50-20)14-6-8-16(36)18(38)10-14/h5-12,35-40H,1-4H3