3-(6-methylheptyl)-4-(2-methylpropyl)phthalic acid

Systemtic Name: 3-(6-methylheptyl)-4-(2-methylpropyl)phthalic acid Openeye Name: 4-isobutyl-3-(6-methylheptyl)phthalic acid CAS Name: 3-(6-methylheptyl)-4-(2-methylpropyl)phthalic acid IUPAC Name: 3-(6-methylheptyl)-4-(2-methylpropyl)phthalic acid Traditional Name: 4-isobutyl-3-(6-methylheptyl)phthalic acid Formula: C20H30O4 MolecularWeight: 334.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC(C)C

Isomeric SMILES

CC(C)CCCCCC1=C(C=CC(=C1C(=O)O)C(=O)O)CC(C)C

InChI

InChI=1S/C20H30O4/c1-13(2)8-6-5-7-9-16-15(12-14(3)4)10-11-17(19(21)22)18(16)20(23)24/h10-11,13-14H,5-9,12H2,1-4H3,(H,21,22)(H,23,24)