4-butyl-3-(4-methylpentyl)phthalate

Systemtic Name: 4-butyl-3-(4-methylpentyl)phthalate Openeye Name: 4-butyl-3-isohexyl-phthalate CAS Name: 4-butyl-3-(4-methylpentyl)phthalate IUPAC Name: 4-butyl-3-(4-methylpentyl)phthalate Traditional Name: 4-butyl-3-isohexyl-phthalate Formula: C18H24O4-2 MolecularWeight: 304.38076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCC(C)C

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCC(C)C

InChI

InChI=1S/C18H26O4/c1-4-5-8-13-10-11-15(17(19)20)16(18(21)22)14(13)9-6-7-12(2)3/h10-12H,4-9H2,1-3H3,(H,19,20)(H,21,22)/p-2