sodium 3-(2-hydroxyphenyl)carbonyl-6,6-dimethoxy-4-oxidanyl-cyclohexa-1,4-diene-1-sulfonic acid

Systemtic Name: sodium 3-(2-hydroxyphenyl)carbonyl-6,6-dimethoxy-4-oxidanyl-cyclohexa-1,4-diene-1-sulfonic acid Openeye Name: sodium 4-hydroxy-3-(2-hydroxybenzoyl)-6,6-dimethoxy-cyclohexa-1,4-diene-1-sulfonic acid CAS Name: sodium 4-hydroxy-3-[(2-hydroxyphenyl)-oxomethyl]-6,6-dimethoxy-1-cyclohexa-1,4-dienesulfonic acid IUPAC Name: sodium 4-hydroxy-3-(2-hydroxybenzoyl)-6,6-dimethoxycyclohexa-1,4-diene-1-sulfonic acid Traditional Name: sodium 4-hydroxy-6,6-dimethoxy-3-salicyloyl-cyclohexa-1,4-diene-1-sulfonic acid Formula: C15H16NaO8S+ MolecularWeight: 379.33751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(C=C(C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2O)O)OC.[Na+]

Isomeric SMILES

COC1(C=C(C(C=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2O)O)OC.[Na+]

InChI

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