3-(7,7-dimethyloctyl)-4-heptyl-phthalate

Systemtic Name: 3-(7,7-dimethyloctyl)-4-heptyl-phthalate Openeye Name: 3-(7,7-dimethyloctyl)-4-heptyl-phthalate CAS Name: 3-(7,7-dimethyloctyl)-4-heptylphthalate IUPAC Name: 3-(7,7-dimethyloctyl)-4-heptylphthalate Traditional Name: 3-(7,7-dimethyloctyl)-4-heptyl-phthalate Formula: C25H38O4-2 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCC(C)(C)C

Isomeric SMILES

CCCCCCCC1=C(C(=C(C=C1)C(=O)[O-])C(=O)[O-])CCCCCCC(C)(C)C

InChI

InChI=1S/C25H40O4/c1-5-6-7-8-11-14-19-16-17-21(23(26)27)22(24(28)29)20(19)15-12-9-10-13-18-25(2,3)4/h16-17H,5-15,18H2,1-4H3,(H,26,27)(H,28,29)/p-2