disodium; diphenylmethanone; 6-methoxy-3-(4-methoxy-2-oxidanyl-3-sulfonato-phenyl)carbonyl-2-oxidanyl-benzenesulfonate

Systemtic Name: disodium; diphenylmethanone; 6-methoxy-3-(4-methoxy-2-oxidanyl-3-sulfonato-phenyl)carbonyl-2-oxidanyl-benzenesulfonate Openeye Name: disodium; diphenylmethanone; 2-hydroxy-3-(2-hydroxy-4-methoxy-3-sulfonato-benzoyl)-6-methoxy-benzenesulfonate CAS Name: disodium; diphenylmethanone; 2-hydroxy-3-[(2-hydroxy-4-methoxy-3-sulfonatophenyl)-oxomethyl]-6-methoxybenzenesulfonate IUPAC Name: disodium; diphenylmethanone; 2-hydroxy-3-(2-hydroxy-4-methoxy-3-sulfonatobenzoyl)-6-methoxybenzenesulfonate Traditional Name: disodium; benzophenone; 2-hydroxy-3-(2-hydroxy-4-methoxy-3-sulfonato-benzoyl)-6-methoxy-besylate Formula: C28H22Na2O12S2 MolecularWeight: 660.57662

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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-].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Na+].[Na+]

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-].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Na+].[Na+]

InChI

InChI=1S/C15H14O11S2.C13H10O.2Na/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;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h3-6,17-18H,1-2H3,(H,19,20,21)(H,22,23,24);1-10H;;/q;;2*+1/p-2