4-(2-ethylhexyl)-3-(7-methyloctyl)phthalate

Systemtic Name: 4-(2-ethylhexyl)-3-(7-methyloctyl)phthalate Openeye Name: 4-(2-ethylhexyl)-3-(7-methyloctyl)phthalate CAS Name: 4-(2-ethylhexyl)-3-(7-methyloctyl)phthalate IUPAC Name: 4-(2-ethylhexyl)-3-(7-methyloctyl)phthalate Traditional Name: 4-(2-ethylhexyl)-3-(7-methyloctyl)phthalate Formula: C25H38O4-2 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O4/c1-5-7-13-19(6-2)17-20-15-16-22(24(26)27)23(25(28)29)21(20)14-11-9-8-10-12-18(3)4/h15-16,18-19H,5-14,17H2,1-4H3,(H,26,27)(H,28,29)/p-2