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

Systemtic Name: 5-methoxy-2-(4-methoxy-2-oxidanyl-6-sulfo-phenyl)carbonyl-3-oxidanyl-benzenesulfonic acid Openeye Name: 3-hydroxy-2-(2-hydroxy-4-methoxy-6-sulfo-benzoyl)-5-methoxy-benzenesulfonic acid CAS Name: 3-hydroxy-2-[(2-hydroxy-4-methoxy-6-sulfophenyl)-oxomethyl]-5-methoxybenzenesulfonic acid IUPAC Name: 3-hydroxy-2-(2-hydroxy-4-methoxy-6-sulfobenzoyl)-5-methoxybenzenesulfonic acid Traditional Name: 3-hydroxy-2-(2-hydroxy-4-methoxy-6-sulfo-benzoyl)-5-methoxy-besylic acid Formula: C15H14O11S2 MolecularWeight: 434.39506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)C2=C(C=C(C=C2S(=O)(=O)O)OC)O)O

Isomeric SMILES

COC1=CC(=C(C(=C1)S(=O)(=O)O)C(=O)C2=C(C=C(C=C2S(=O)(=O)O)OC)O)O

InChI

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