3-hexan-2-ylphthalic acid

Systemtic Name: 3-hexan-2-ylphthalic acid Openeye Name: 3-(1-methylpentyl)phthalic acid CAS Name: 3-hexan-2-ylphthalic acid IUPAC Name: 3-hexan-2-ylphthalic acid Traditional Name: 3-(1-methylpentyl)phthalic acid Formula: C14H18O4 MolecularWeight: 250.29032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=CC=CC(=C1C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(C)C1=CC=CC(=C1C(=O)O)C(=O)O

InChI

InChI=1S/C14H18O4/c1-3-4-6-9(2)10-7-5-8-11(13(15)16)12(10)14(17)18/h5,7-9H,3-4,6H2,1-2H3,(H,15,16)(H,17,18)