3-[2-(4-heptylphenyl)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 3-[2-(4-heptylphenyl)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 3-[2-(4-heptylphenyl)-2-oxo-ethyl]benzoic acid CAS Name: 3-[2-(4-heptylphenyl)-2-oxoethyl]benzoic acid IUPAC Name: 3-[2-(4-heptylphenyl)-2-oxoethyl]benzoic acid Traditional Name: 3-[2-(4-heptylphenyl)-2-keto-ethyl]benzoic acid Formula: C22H26O3 MolecularWeight: 338.44004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C22H26O3/c1-2-3-4-5-6-8-17-11-13-19(14-12-17)21(23)16-18-9-7-10-20(15-18)22(24)25/h7,9-15H,2-6,8,16H2,1H3,(H,24,25)