2-(1-phenylnonan-2-yl)hexanedioate

Systemtic Name: 2-(1-phenylnonan-2-yl)hexanedioate Openeye Name: 2-(1-benzyloctyl)hexanedioate CAS Name: 2-(1-phenylnonan-2-yl)hexanedioate IUPAC Name: 2-(1-phenylnonan-2-yl)hexanedioate Traditional Name: 2-(1-benzyloctyl)adipate Formula: C21H30O4-2 MolecularWeight: 346.4605

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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)/p-2