3-(4-butoxy-2-oxidanyl-phenyl)carbonylbenzoic acid

Systemtic Name: 3-(4-butoxy-2-oxidanyl-phenyl)carbonylbenzoic acid Openeye Name: 3-(4-butoxy-2-hydroxy-benzoyl)benzoic acid CAS Name: 3-[(4-butoxy-2-hydroxyphenyl)-oxomethyl]benzoic acid IUPAC Name: 3-(4-butoxy-2-hydroxybenzoyl)benzoic acid Traditional Name: 3-(4-butoxy-2-hydroxy-benzoyl)benzoic acid Formula: C18H18O5 MolecularWeight: 314.33252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)O

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)O)O

InChI

InChI=1S/C18H18O5/c1-2-3-9-23-14-7-8-15(16(19)11-14)17(20)12-5-4-6-13(10-12)18(21)22/h4-8,10-11,19H,2-3,9H2,1H3,(H,21,22)