3,4-bis(2-methylpropyl)phthalate; titanium(2+)

Systemtic Name: 3,4-bis(2-methylpropyl)phthalate; titanium(2+) Openeye Name: 3,4-diisobutylphthalate; titanium(2+) CAS Name: 3,4-bis(2-methylpropyl)phthalate; titanium(2+) IUPAC Name: 3,4-bis(2-methylpropyl)phthalate; titanium(2+) Traditional Name: 3,4-diisobutylphthalate; titanium(2+) Formula: C16H20O4Ti MolecularWeight: 324.1946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(C)C.[Ti+2]

Isomeric SMILES

CC(C)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(C)C.[Ti+2]

InChI

InChI=1S/C16H22O4.Ti/c1-9(2)7-11-5-6-12(15(17)18)14(16(19)20)13(11)8-10(3)4;/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)(H,19,20);/q;+2/p-2