sodium 3-methoxy-6-(4-methoxy-2-oxidanyl-phenyl)carbonyl-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: sodium 3-methoxy-6-(4-methoxy-2-oxidanyl-phenyl)carbonyl-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonate Openeye Name: sodium 1-hydroxy-6-(2-hydroxy-4-methoxy-benzoyl)-3-methoxy-cyclohexa-2,4-diene-1-sulfonate CAS Name: sodium 1-hydroxy-6-[(2-hydroxy-4-methoxyphenyl)-oxomethyl]-3-methoxy-1-cyclohexa-2,4-dienesulfonate IUPAC Name: sodium 1-hydroxy-6-(2-hydroxy-4-methoxybenzoyl)-3-methoxycyclohexa-2,4-diene-1-sulfonate Traditional Name: sodium 1-hydroxy-6-(2-hydroxy-4-methoxy-benzoyl)-3-methoxy-cyclohexa-2,4-diene-1-sulfonate Formula: C15H15NaO8S MolecularWeight: 378.32957

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2C=CC(=CC2(O)S(=O)(=O)[O-])OC)O.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2C=CC(=CC2(O)S(=O)(=O)[O-])OC)O.[Na+]

InChI

InChI=1S/C15H16O8S.Na/c1-22-9-3-5-11(13(16)7-9)14(17)12-6-4-10(23-2)8-15(12,18)24(19,20)21;/h3-8,12,16,18H,1-2H3,(H,19,20,21);/q;+1/p-1