2-(1-phenylnonan-2-yl)hexanedioic acid

Systemtic Name: 2-(1-phenylnonan-2-yl)hexanedioic acid Openeye Name: 2-(1-benzyloctyl)hexanedioic acid CAS Name: 2-(1-phenylnonan-2-yl)hexanedioic acid IUPAC Name: 2-(1-phenylnonan-2-yl)hexanedioic acid Traditional Name: 2-(1-benzyloctyl)adipic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC1=CC=CC=C1)C(CCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCC(CC1=CC=CC=C1)C(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C21H32O4/c1-2-3-4-5-9-13-18(16-17-11-7-6-8-12-17)19(21(24)25)14-10-15-20(22)23/h6-8,11-12,18-19H,2-5,9-10,13-16H2,1H3,(H,22,23)(H,24,25)