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

Systemtic Name: 1,3-bis(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 1,3-bis(4-hydroxy-3-methoxy-phenyl)-3-oxo-propane-1-sulfonic acid CAS Name: 1,3-bis(4-hydroxy-3-methoxyphenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: 1,3-bis(4-hydroxy-3-methoxyphenyl)-3-oxopropane-1-sulfonic acid Traditional Name: 1,3-bis(4-hydroxy-3-methoxy-phenyl)-3-keto-propane-1-sulfonic acid Formula: C17H18O8S MolecularWeight: 382.38502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O8S/c1-24-15-7-10(3-5-12(15)18)14(20)9-17(26(21,22)23)11-4-6-13(19)16(8-11)25-2/h3-8,17-19H,9H2,1-2H3,(H,21,22,23)