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

Systemtic Name: 2,4-bis(3-methylbutyl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-diisopentylbenzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(3-methylbutyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(3-methylbutyl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-diisoamylisophthalic acid Formula: C18H26O4 MolecularWeight: 306.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C(=C(C=C1)C(=O)O)CCC(C)C)C(=O)O

Isomeric SMILES

CC(C)CCC1=C(C(=C(C=C1)C(=O)O)CCC(C)C)C(=O)O

InChI

InChI=1S/C18H26O4/c1-11(2)5-7-13-8-10-15(17(19)20)14(9-6-12(3)4)16(13)18(21)22/h8,10-12H,5-7,9H2,1-4H3,(H,19,20)(H,21,22)