3,4-bis(2-ethyl-4-methyl-pentyl)phthalate

Systemtic Name: 3,4-bis(2-ethyl-4-methyl-pentyl)phthalate Openeye Name: 3,4-bis(2-ethyl-4-methyl-pentyl)phthalate CAS Name: 3,4-bis(2-ethyl-4-methylpentyl)phthalate IUPAC Name: 3,4-bis(2-ethyl-4-methylpentyl)phthalate Traditional Name: 3,4-bis(2-ethyl-4-methyl-pentyl)phthalate Formula: C24H36O4-2 MolecularWeight: 388.54024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(CC)CC(C)C)CC(C)C

Isomeric SMILES

CCC(CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(CC)CC(C)C)CC(C)C

InChI

InChI=1S/C24H38O4/c1-7-17(11-15(3)4)13-19-9-10-20(23(25)26)22(24(27)28)21(19)14-18(8-2)12-16(5)6/h9-10,15-18H,7-8,11-14H2,1-6H3,(H,25,26)(H,27,28)/p-2