3-(3-methoxy-5-methyl-2-oxidanyl-phenyl)-3-oxidanylidene-1-phenyl-propane-1-sulfonic acid

Systemtic Name: 3-(3-methoxy-5-methyl-2-oxidanyl-phenyl)-3-oxidanylidene-1-phenyl-propane-1-sulfonic acid Openeye Name: 3-(2-hydroxy-3-methoxy-5-methyl-phenyl)-3-oxo-1-phenyl-propane-1-sulfonic acid CAS Name: 3-(2-hydroxy-3-methoxy-5-methylphenyl)-3-oxo-1-phenyl-1-propanesulfonic acid IUPAC Name: 3-(2-hydroxy-3-methoxy-5-methylphenyl)-3-oxo-1-phenylpropane-1-sulfonic acid Traditional Name: 3-(2-hydroxy-3-methoxy-5-methyl-phenyl)-3-keto-1-phenyl-propane-1-sulfonic acid Formula: C17H18O6S MolecularWeight: 350.38622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)CC(C2=CC=CC=C2)S(=O)(=O)O)O)OC

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)CC(C2=CC=CC=C2)S(=O)(=O)O)O)OC

InChI

InChI=1S/C17H18O6S/c1-11-8-13(17(19)15(9-11)23-2)14(18)10-16(24(20,21)22)12-6-4-3-5-7-12/h3-9,16,19H,10H2,1-2H3,(H,20,21,22)