2-(1-phenylpentan-2-yl)hexanedioate

Systemtic Name: 2-(1-phenylpentan-2-yl)hexanedioate Openeye Name: 2-(1-benzylbutyl)hexanedioate CAS Name: 2-(1-phenylpentan-2-yl)hexanedioate IUPAC Name: 2-(1-phenylpentan-2-yl)hexanedioate Traditional Name: 2-(1-benzylbutyl)adipate Formula: C17H22O4-2 MolecularWeight: 290.35418

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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)/p-2