2,4-bis(7-methyloctyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(7-methyloctyl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(7-methyloctyl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(7-methyloctyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(7-methyloctyl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(7-methyloctyl)isophthalic acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC1=C(C(=C(C=C1)C(=O)O)CCCCCCC(C)C)C(=O)O

Isomeric SMILES

CC(C)CCCCCCC1=C(C(=C(C=C1)C(=O)O)CCCCCCC(C)C)C(=O)O

InChI

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