4-[7-oxidanyl-7-oxidanylidene-2-[2-(2-phenylmethoxyphenyl)ethyl]heptyl]benzoic acid

Systemtic Name: 4-[7-oxidanyl-7-oxidanylidene-2-[2-(2-phenylmethoxyphenyl)ethyl]heptyl]benzoic acid Openeye Name: 4-[2-[2-(2-benzyloxyphenyl)ethyl]-7-hydroxy-7-oxo-heptyl]benzoic acid CAS Name: 4-[7-hydroxy-7-oxo-2-[2-(2-phenylmethoxyphenyl)ethyl]heptyl]benzoic acid IUPAC Name: 4-[7-hydroxy-7-oxo-2-[2-(2-phenylmethoxyphenyl)ethyl]heptyl]benzoic acid Traditional Name: 4-[2-[2-(2-benzoxyphenyl)ethyl]-7-hydroxy-7-keto-heptyl]benzoic acid Formula: C29H32O5 MolecularWeight: 460.56138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2CCC(CCCCC(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2CCC(CCCCC(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C29H32O5/c30-28(31)13-7-4-8-22(20-23-15-18-26(19-16-23)29(32)33)14-17-25-11-5-6-12-27(25)34-21-24-9-2-1-3-10-24/h1-3,5-6,9-12,15-16,18-19,22H,4,7-8,13-14,17,20-21H2,(H,30,31)(H,32,33)