2-[1-(2-pentylphenyl)heptyl]benzoic acid

Systemtic Name: 2-[1-(2-pentylphenyl)heptyl]benzoic acid Openeye Name: 2-[1-(2-pentylphenyl)heptyl]benzoic acid CAS Name: 2-[1-(2-pentylphenyl)heptyl]benzoic acid IUPAC Name: 2-[1-(2-pentylphenyl)heptyl]benzoic acid Traditional Name: 2-[1-(2-amylphenyl)heptyl]benzoic acid Formula: C25H34O2 MolecularWeight: 366.53626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=CC=C1CCCCC)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCCCC(C1=CC=CC=C1CCCCC)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C25H34O2/c1-3-5-7-9-17-22(23-18-12-13-19-24(23)25(26)27)21-16-11-10-15-20(21)14-8-6-4-2/h10-13,15-16,18-19,22H,3-9,14,17H2,1-2H3,(H,26,27)