[2-(3,4-disulfooxyphenyl)-5-oxidanyl-4-oxidanylidene-7-sulfooxy-chromen-3-yl] ethanoate

Systemtic Name: [2-(3,4-disulfooxyphenyl)-5-oxidanyl-4-oxidanylidene-7-sulfooxy-chromen-3-yl] ethanoate Openeye Name: [2-(3,4-disulfooxyphenyl)-5-hydroxy-4-oxo-7-sulfooxy-chromen-3-yl] acetate CAS Name: acetic acid [2-(3,4-disulfooxyphenyl)-5-hydroxy-4-oxo-7-sulfooxy-1-benzopyran-3-yl] ester IUPAC Name: [2-(3,4-disulfooxyphenyl)-5-hydroxy-4-oxo-7-sulfooxychromen-3-yl] acetate Traditional Name: acetic acid [2-(3,4-disulfoxyphenyl)-5-hydroxy-4-keto-7-sulfoxy-chromen-3-yl] ester Formula: C17H12O17S3 MolecularWeight: 584.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(OC2=CC(=CC(=C2C1=O)O)OS(=O)(=O)O)C3=CC(=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(=O)OC1=C(OC2=CC(=CC(=C2C1=O)O)OS(=O)(=O)O)C3=CC(=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C17H12O17S3/c1-7(18)30-17-15(20)14-10(19)5-9(32-35(21,22)23)6-13(14)31-16(17)8-2-3-11(33-36(24,25)26)12(4-8)34-37(27,28)29/h2-6,19H,1H3,(H,21,22,23)(H,24,25,26)(H,27,28,29)