4-(1-oxidanyl-1-oxidanylidene-5-phenoxy-pentan-2-yl)oxybenzoic acid

Systemtic Name: 4-(1-oxidanyl-1-oxidanylidene-5-phenoxy-pentan-2-yl)oxybenzoic acid Openeye Name: 4-(1-carboxy-4-phenoxy-butoxy)benzoic acid CAS Name: 4-(1-hydroxy-1-oxo-5-phenoxypentan-2-yl)oxybenzoic acid IUPAC Name: 4-(1-hydroxy-1-oxo-5-phenoxypentan-2-yl)oxybenzoic acid Traditional Name: 4-(1-carboxy-4-phenoxy-butoxy)benzoic acid Formula: C18H18O6 MolecularWeight: 330.33192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(C(=O)O)OC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(C(=O)O)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C18H18O6/c19-17(20)13-8-10-15(11-9-13)24-16(18(21)22)7-4-12-23-14-5-2-1-3-6-14/h1-3,5-6,8-11,16H,4,7,12H2,(H,19,20)(H,21,22)