3,4-bis(2-methylhexyl)phthalic acid

Systemtic Name: 3,4-bis(2-methylhexyl)phthalic acid Openeye Name: 3,4-bis(2-methylhexyl)phthalic acid CAS Name: 3,4-bis(2-methylhexyl)phthalic acid IUPAC Name: 3,4-bis(2-methylhexyl)phthalic acid Traditional Name: 3,4-bis(2-methylhexyl)phthalic acid Formula: C22H34O4 MolecularWeight: 362.50296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC(C)CCCC

Isomeric SMILES

CCCCC(C)CC1=C(C(=C(C=C1)C(=O)O)C(=O)O)CC(C)CCCC

InChI

InChI=1S/C22H34O4/c1-5-7-9-15(3)13-17-11-12-18(21(23)24)20(22(25)26)19(17)14-16(4)10-8-6-2/h11-12,15-16H,5-10,13-14H2,1-4H3,(H,23,24)(H,25,26)