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

Systemtic Name: disodium 2-methoxy-5-(2-methoxy-4-sulfo-phenyl)carbonyl-4-oxidanyl-benzenesulfonic acid Openeye Name: disodium 4-hydroxy-2-methoxy-5-(2-methoxy-4-sulfo-benzoyl)benzenesulfonic acid CAS Name: disodium 4-hydroxy-2-methoxy-5-[(2-methoxy-4-sulfophenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: disodium 4-hydroxy-2-methoxy-5-(2-methoxy-4-sulfobenzoyl)benzenesulfonic acid Traditional Name: disodium 4-hydroxy-2-methoxy-5-(2-methoxy-4-sulfo-benzoyl)besylic acid Formula: C15H14Na2O10S2+2 MolecularWeight: 464.3752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)O)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)O)C(=O)C2=CC(=C(C=C2O)OC)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C15H14O10S2.2Na/c1-24-12-5-8(26(18,19)20)3-4-9(12)15(17)10-6-14(27(21,22)23)13(25-2)7-11(10)16;;/h3-7,16H,1-2H3,(H,18,19,20)(H,21,22,23);;/q;2*+1