3-(6-methylheptyl)-4-(2-methylpropyl)phthalate

Systemtic Name: 3-(6-methylheptyl)-4-(2-methylpropyl)phthalate Openeye Name: 4-isobutyl-3-(6-methylheptyl)phthalate CAS Name: 3-(6-methylheptyl)-4-(2-methylpropyl)phthalate IUPAC Name: 3-(6-methylheptyl)-4-(2-methylpropyl)phthalate Traditional Name: 4-isobutyl-3-(6-methylheptyl)phthalate Formula: C20H28O4-2 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CC(C)C

Isomeric SMILES

CC(C)CCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CC(C)C

InChI

InChI=1S/C20H30O4/c1-13(2)8-6-5-7-9-16-15(12-14(3)4)10-11-17(19(21)22)18(16)20(23)24/h10-11,13-14H,5-9,12H2,1-4H3,(H,21,22)(H,23,24)/p-2