2-(8-methylnonyl)-3-octan-4-yl-terephthalate

Systemtic Name: 2-(8-methylnonyl)-3-octan-4-yl-terephthalate Openeye Name: 2-(8-methylnonyl)-3-(1-propylpentyl)terephthalate CAS Name: 2-(8-methylnonyl)-3-octan-4-ylterephthalate IUPAC Name: 2-(8-methylnonyl)-3-octan-4-ylterephthalate Traditional Name: 2-(8-methylnonyl)-3-(1-propylpentyl)terephthalate Formula: C26H40O4-2 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=C(C=CC(=C1CCCCCCCC(C)C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCC(CCC)C1=C(C=CC(=C1CCCCCCCC(C)C)C(=O)[O-])C(=O)[O-]

InChI

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