bis(2,2-dimethylpropyl) 3-(6-methylheptyl)benzene-1,2-dicarboxylate

Systemtic Name: bis(2,2-dimethylpropyl) 3-(6-methylheptyl)benzene-1,2-dicarboxylate Openeye Name: bis(2,2-dimethylpropyl) 3-(6-methylheptyl)benzene-1,2-dicarboxylate CAS Name: 3-(6-methylheptyl)benzene-1,2-dicarboxylic acid bis(2,2-dimethylpropyl) ester IUPAC Name: bis(2,2-dimethylpropyl) 3-(6-methylheptyl)benzene-1,2-dicarboxylate Traditional Name: 3-(6-methylheptyl)benzene-1,2-dicarboxylic acid dineopentyl ester Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=CC=CC(=C1C(=O)OCC(C)(C)C)C(=O)OCC(C)(C)C

Isomeric SMILES

CC(C)CCCCCC1=CC=CC(=C1C(=O)OCC(C)(C)C)C(=O)OCC(C)(C)C

InChI

InChI=1S/C26H42O4/c1-19(2)13-10-9-11-14-20-15-12-16-21(23(27)29-17-25(3,4)5)22(20)24(28)30-18-26(6,7)8/h12,15-16,19H,9-11,13-14,17-18H2,1-8H3