3,4-bis(5-methylhexyl)phthalic acid

Systemtic Name: 3,4-bis(5-methylhexyl)phthalic acid Openeye Name: 3,4-bis(5-methylhexyl)phthalic acid CAS Name: 3,4-bis(5-methylhexyl)phthalic acid IUPAC Name: 3,4-bis(5-methylhexyl)phthalic acid Traditional Name: 3,4-bis(5-methylhexyl)phthalic acid Formula: C22H34O4 MolecularWeight: 362.50296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCCC(C)C

Isomeric SMILES

CC(C)CCCCC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CCCCC(C)C

InChI

InChI=1S/C22H34O4/c1-15(2)9-5-7-11-17-13-14-19(21(23)24)20(22(25)26)18(17)12-8-6-10-16(3)4/h13-16H,5-12H2,1-4H3,(H,23,24)(H,25,26)