3-(4-methylpentyl)-4-pentyl-phthalate

Systemtic Name: 3-(4-methylpentyl)-4-pentyl-phthalate Openeye Name: 3-isohexyl-4-pentyl-phthalate CAS Name: 3-(4-methylpentyl)-4-pentylphthalate IUPAC Name: 3-(4-methylpentyl)-4-pentylphthalate Traditional Name: 4-amyl-3-isohexyl-phthalate Formula: C19H26O4-2 MolecularWeight: 318.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCC(C)C

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCC(C)C

InChI

InChI=1S/C19H28O4/c1-4-5-6-9-14-11-12-16(18(20)21)17(19(22)23)15(14)10-7-8-13(2)3/h11-13H,4-10H2,1-3H3,(H,20,21)(H,22,23)/p-2