3-(2-hydroxyphenyl)-1-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 3-(2-hydroxyphenyl)-1-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 1-(4-hydroxy-3-methoxy-phenyl)-3-(2-hydroxyphenyl)-3-oxo-propane-1-sulfonic acid CAS Name: 1-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)-3-oxopropane-1-sulfonic acid Traditional Name: 1-(4-hydroxy-3-methoxy-phenyl)-3-(2-hydroxyphenyl)-3-keto-propane-1-sulfonic acid Formula: C16H16O7S MolecularWeight: 352.35904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC(=O)C2=CC=CC=C2O)S(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(CC(=O)C2=CC=CC=C2O)S(=O)(=O)O)O

InChI

InChI=1S/C16H16O7S/c1-23-15-8-10(6-7-13(15)18)16(24(20,21)22)9-14(19)11-4-2-3-5-12(11)17/h2-8,16-18H,9H2,1H3,(H,20,21,22)