2-octyl-2-(phenylmethyl)hexanedioate

Systemtic Name: 2-octyl-2-(phenylmethyl)hexanedioate Openeye Name: 2-benzyl-2-octyl-hexanedioate CAS Name: 2-octyl-2-(phenylmethyl)hexanedioate IUPAC Name: 2-benzyl-2-octylhexanedioate Traditional Name: 2-benzyl-2-octyl-adipate Formula: C21H30O4-2 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCC(=O)[O-])(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC(CCCC(=O)[O-])(CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C21H32O4/c1-2-3-4-5-6-10-15-21(20(24)25,16-11-14-19(22)23)17-18-12-8-7-9-13-18/h7-9,12-13H,2-6,10-11,14-17H2,1H3,(H,22,23)(H,24,25)/p-2