3,4-bis(2-methylheptyl)phthalate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(C)CCCCC

Isomeric SMILES

CCCCCC(C)CC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CC(C)CCCCC

InChI

InChI=1S/C24H38O4/c1-5-7-9-11-17(3)15-19-13-14-20(23(25)26)22(24(27)28)21(19)16-18(4)12-10-8-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,25,26)(H,27,28)/p-2