2-(phenylmethyl)-4-tetradecyl-pentanedioic acid

Systemtic Name: 2-(phenylmethyl)-4-tetradecyl-pentanedioic acid Openeye Name: 2-benzyl-4-tetradecyl-pentanedioic acid CAS Name: 2-(phenylmethyl)-4-tetradecylpentanedioic acid IUPAC Name: 2-benzyl-4-tetradecylpentanedioic acid Traditional Name: 2-benzyl-4-myristyl-glutaric acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23(25(27)28)21-24(26(29)30)20-22-17-14-13-15-18-22/h13-15,17-18,23-24H,2-12,16,19-21H2,1H3,(H,27,28)(H,29,30)