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

Systemtic Name: 2-methoxy-5-(4-methoxy-3-sulfo-phenyl)carbonyl-benzenesulfonic acid Openeye Name: 2-methoxy-5-(4-methoxy-3-sulfo-benzoyl)benzenesulfonic acid CAS Name: 2-methoxy-5-[(4-methoxy-3-sulfophenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-methoxy-5-(4-methoxy-3-sulfobenzoyl)benzenesulfonic acid Traditional Name: 2-methoxy-5-(4-methoxy-3-sulfo-benzoyl)besylic acid Formula: C15H14O9S2 MolecularWeight: 402.39626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O9S2/c1-23-11-5-3-9(7-13(11)25(17,18)19)15(16)10-4-6-12(24-2)14(8-10)26(20,21)22/h3-8H,1-2H3,(H,17,18,19)(H,20,21,22)