3,4-di(octan-4-yl)phthalate

Systemtic Name: 3,4-di(octan-4-yl)phthalate Openeye Name: 3,4-bis(1-propylpentyl)phthalate CAS Name: 3,4-di(octan-4-yl)phthalate IUPAC Name: 3,4-di(octan-4-yl)phthalate Traditional Name: 3,4-bis(1-propylpentyl)phthalate Formula: C24H36O4-2 MolecularWeight: 388.54024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(CCC)CCCC

Isomeric SMILES

CCCCC(CCC)C1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])C(CCC)CCCC

InChI

InChI=1S/C24H38O4/c1-5-9-13-17(11-7-3)19-15-16-20(23(25)26)22(24(27)28)21(19)18(12-8-4)14-10-6-2/h15-18H,5-14H2,1-4H3,(H,25,26)(H,27,28)/p-2