2-(phenylmethyl)octacosanoic acid

Systemtic Name: 2-(phenylmethyl)octacosanoic acid Openeye Name: 2-benzyloctacosanoic acid CAS Name: 2-(phenylmethyl)octacosanoic acid IUPAC Name: 2-benzyloctacosanoic acid Traditional Name: 2-benzylmontanic acid Formula: C35H62O2 MolecularWeight: 514.86558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C35H62O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34(35(36)37)32-33-29-26-25-27-30-33/h25-27,29-30,34H,2-24,28,31-32H2,1H3,(H,36,37)