3-chloranyl-4-[8-oxidanyl-8-oxidanylidene-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxy-benzoic acid

Systemtic Name: 3-chloranyl-4-[8-oxidanyl-8-oxidanylidene-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxy-benzoic acid Openeye Name: 3-chloro-4-[6-hydroxy-6-oxo-1-[2-[2-(5-phenylpentoxy)phenyl]ethyl]hexoxy]benzoic acid CAS Name: 3-chloro-4-[8-hydroxy-8-oxo-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxybenzoic acid IUPAC Name: 3-chloro-4-[8-hydroxy-8-oxo-1-[2-(5-phenylpentoxy)phenyl]octan-3-yl]oxybenzoic acid Traditional Name: 3-chloro-4-[6-hydroxy-6-keto-1-[2-[2-(5-phenylpentoxy)phenyl]ethyl]hexoxy]benzoic acid Formula: C32H37ClO6 MolecularWeight: 553.08558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOC2=CC=CC=C2CCC(CCCCC(=O)O)OC3=C(C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOC2=CC=CC=C2CCC(CCCCC(=O)O)OC3=C(C=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C32H37ClO6/c33-28-23-26(32(36)37)19-21-30(28)39-27(15-7-9-17-31(34)35)20-18-25-14-6-8-16-29(25)38-22-10-2-5-13-24-11-3-1-4-12-24/h1,3-4,6,8,11-12,14,16,19,21,23,27H,2,5,7,9-10,13,15,17-18,20,22H2,(H,34,35)(H,36,37)