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

Systemtic Name: 2-(1-phenylpentan-2-yl)hexanedioic acid Openeye Name: 2-(1-benzylbutyl)hexanedioic acid CAS Name: 2-(1-phenylpentan-2-yl)hexanedioic acid IUPAC Name: 2-(1-phenylpentan-2-yl)hexanedioic acid Traditional Name: 2-(1-benzylbutyl)adipic acid Formula: C17H24O4 MolecularWeight: 292.37006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24O4/c1-2-7-14(12-13-8-4-3-5-9-13)15(17(20)21)10-6-11-16(18)19/h3-5,8-9,14-15H,2,6-7,10-12H2,1H3,(H,18,19)(H,20,21)