2-[(2-octylphenyl)methyl]hexanedioic acid

Systemtic Name: 2-[(2-octylphenyl)methyl]hexanedioic acid Openeye Name: 2-[(2-octylphenyl)methyl]hexanedioic acid CAS Name: 2-[(2-octylphenyl)methyl]hexanedioic acid IUPAC Name: 2-[(2-octylphenyl)methyl]hexanedioic acid Traditional Name: 2-(2-octylbenzyl)adipic acid Formula: C21H32O4 MolecularWeight: 348.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1CC(CCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1CC(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C21H32O4/c1-2-3-4-5-6-7-11-17-12-8-9-13-18(17)16-19(21(24)25)14-10-15-20(22)23/h8-9,12-13,19H,2-7,10-11,14-16H2,1H3,(H,22,23)(H,24,25)