2,4-bis(oxidanyl)-6-pentyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(oxidanyl)-6-pentyl-benzene-1,3-dicarboxylic acid Openeye Name: 2,4-dihydroxy-6-pentyl-benzene-1,3-dicarboxylic acid CAS Name: 2,4-dihydroxy-6-pentylbenzene-1,3-dicarboxylic acid IUPAC Name: 2,4-dihydroxy-6-pentylbenzene-1,3-dicarboxylic acid Traditional Name: 4-amyl-2,6-dihydroxy-isophthalic acid Formula: C13H16O6 MolecularWeight: 268.26254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6/c1-2-3-4-5-7-6-8(14)10(13(18)19)11(15)9(7)12(16)17/h6,14-15H,2-5H2,1H3,(H,16,17)(H,18,19)