3-[2-(2-methoxy-3-oxidanyl-3-oxidanylidene-propyl)-6-methyl-phenyl]benzoic acid

Systemtic Name: 3-[2-(2-methoxy-3-oxidanyl-3-oxidanylidene-propyl)-6-methyl-phenyl]benzoic acid Openeye Name: 3-[2-(3-hydroxy-2-methoxy-3-oxo-propyl)-6-methyl-phenyl]benzoic acid CAS Name: 3-[2-(3-hydroxy-2-methoxy-3-oxopropyl)-6-methylphenyl]benzoic acid IUPAC Name: 3-[2-(3-hydroxy-2-methoxy-3-oxopropyl)-6-methylphenyl]benzoic acid Traditional Name: 3-[2-(3-hydroxy-3-keto-2-methoxy-propyl)-6-methyl-phenyl]benzoic acid Formula: C18H18O5 MolecularWeight: 314.33252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5/c1-11-5-3-6-13(10-15(23-2)18(21)22)16(11)12-7-4-8-14(9-12)17(19)20/h3-9,15H,10H2,1-2H3,(H,19,20)(H,21,22)