4-(6-methylheptyl)-3-(8-methylnonyl)phthalate

Systemtic Name: 4-(6-methylheptyl)-3-(8-methylnonyl)phthalate Openeye Name: 4-(6-methylheptyl)-3-(8-methylnonyl)phthalate CAS Name: 4-(6-methylheptyl)-3-(8-methylnonyl)phthalate IUPAC Name: 4-(6-methylheptyl)-3-(8-methylnonyl)phthalate Traditional Name: 4-(6-methylheptyl)-3-(8-methylnonyl)phthalate Formula: C26H40O4-2 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCC1=C(C=CC(=C1C(=O)[O-])C(=O)[O-])CCCCCC(C)C

InChI

InChI=1S/C26H42O4/c1-19(2)13-9-6-5-7-12-16-22-21(15-11-8-10-14-20(3)4)17-18-23(25(27)28)24(22)26(29)30/h17-20H,5-16H2,1-4H3,(H,27,28)(H,29,30)/p-2