6-methoxy-3-(4-methoxy-2-oxidanyl-3-sulfo-phenyl)carbonyl-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 6-methoxy-3-(4-methoxy-2-oxidanyl-3-sulfo-phenyl)carbonyl-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-3-(2-hydroxy-4-methoxy-3-sulfo-benzoyl)-6-methoxy-benzenesulfonic acid CAS Name: 2-hydroxy-3-[(2-hydroxy-4-methoxy-3-sulfophenyl)-oxomethyl]-6-methoxybenzenesulfonic acid IUPAC Name: 2-hydroxy-3-(2-hydroxy-4-methoxy-3-sulfobenzoyl)-6-methoxybenzenesulfonic acid Traditional Name: 2-hydroxy-3-(2-hydroxy-4-methoxy-3-sulfo-benzoyl)-6-methoxy-besylic acid Formula: C15H14O11S2 MolecularWeight: 434.39506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)C2=C(C(=C(C=C2)OC)S(=O)(=O)O)O)O)S(=O)(=O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)C2=C(C(=C(C=C2)OC)S(=O)(=O)O)O)O)S(=O)(=O)O

InChI

InChI=1S/C15H14O11S2/c1-25-9-5-3-7(12(17)14(9)27(19,20)21)11(16)8-4-6-10(26-2)15(13(8)18)28(22,23)24/h3-6,17-18H,1-2H3,(H,19,20,21)(H,22,23,24)