3-methoxy-6-(4-methoxy-2-oxidanyl-phenyl)carbonyl-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 3-methoxy-6-(4-methoxy-2-oxidanyl-phenyl)carbonyl-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 1-hydroxy-6-(2-hydroxy-4-methoxy-benzoyl)-3-methoxy-cyclohexa-2,4-diene-1-sulfonic acid CAS Name: 1-hydroxy-6-[(2-hydroxy-4-methoxyphenyl)-oxomethyl]-3-methoxy-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 1-hydroxy-6-(2-hydroxy-4-methoxybenzoyl)-3-methoxycyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 1-hydroxy-6-(2-hydroxy-4-methoxy-benzoyl)-3-methoxy-cyclohexa-2,4-diene-1-sulfonic acid Formula: C15H16O8S MolecularWeight: 356.34774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2C=CC(=CC2(O)S(=O)(=O)O)OC)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2C=CC(=CC2(O)S(=O)(=O)O)OC)O

InChI

InChI=1S/C15H16O8S/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)