2-heptyl-5-methyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-heptyl-5-methyl-benzene-1,3-dicarboxylic acid Openeye Name: 2-heptyl-5-methyl-benzene-1,3-dicarboxylic acid CAS Name: 2-heptyl-5-methylbenzene-1,3-dicarboxylic acid IUPAC Name: 2-heptyl-5-methylbenzene-1,3-dicarboxylic acid Traditional Name: 2-heptyl-5-methyl-isophthalic acid Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1C(=O)O)C)C(=O)O

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1C(=O)O)C)C(=O)O

InChI

InChI=1S/C16H22O4/c1-3-4-5-6-7-8-12-13(15(17)18)9-11(2)10-14(12)16(19)20/h9-10H,3-8H2,1-2H3,(H,17,18)(H,19,20)