1-(3,4-dimethoxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxy-phenyl)-3-oxo-propane-1-sulfonic acid CAS Name: 1-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropane-1-sulfonic acid Traditional Name: 1-(3,4-dimethoxyphenyl)-3-(4-hydroxy-3-methoxy-phenyl)-3-keto-propane-1-sulfonic acid Formula: C18H20O8S MolecularWeight: 396.4116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)C2=CC(=C(C=C2)O)OC)S(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)C2=CC(=C(C=C2)O)OC)S(=O)(=O)O)OC

InChI

InChI=1S/C18H20O8S/c1-24-15-7-5-12(9-17(15)26-3)18(27(21,22)23)10-14(20)11-4-6-13(19)16(8-11)25-2/h4-9,18-19H,10H2,1-3H3,(H,21,22,23)