2-(3-octoxy-4-phenyl-phenoxy)carbonylbenzoic acid

Systemtic Name: 2-(3-octoxy-4-phenyl-phenoxy)carbonylbenzoic acid Openeye Name: 2-(3-octoxy-4-phenyl-phenoxy)carbonylbenzoic acid CAS Name: 2-[(3-octoxy-4-phenylphenoxy)-oxomethyl]benzoic acid IUPAC Name: 2-(3-octoxy-4-phenylphenoxy)carbonylbenzoic acid Traditional Name: 2-(3-octoxy-4-phenyl-phenoxy)carbonylbenzoic acid Formula: C28H30O5 MolecularWeight: 446.5348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)OC(=O)C2=CC=CC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C28H30O5/c1-2-3-4-5-6-12-19-32-26-20-22(17-18-23(26)21-13-8-7-9-14-21)33-28(31)25-16-11-10-15-24(25)27(29)30/h7-11,13-18,20H,2-6,12,19H2,1H3,(H,29,30)