2-[4-[4-(5-carboxy-6-oxidanyl-6-oxidanylidene-hexyl)phenyl]butyl]propanedioic acid

Systemtic Name: 2-[4-[4-(5-carboxy-6-oxidanyl-6-oxidanylidene-hexyl)phenyl]butyl]propanedioic acid Openeye Name: 2-[4-[4-(5-carboxy-6-hydroxy-6-oxo-hexyl)phenyl]butyl]propanedioic acid CAS Name: 2-[4-[4-(5-carboxy-6-hydroxy-6-oxohexyl)phenyl]butyl]propanedioic acid IUPAC Name: 2-[4-[4-(5-carboxy-6-hydroxy-6-oxohexyl)phenyl]butyl]propanedioic acid Traditional Name: 2-[4-[4-(5-carboxy-6-hydroxy-6-keto-hexyl)phenyl]butyl]malonic acid Formula: C20H26O8 MolecularWeight: 394.41564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(C(=O)O)C(=O)O)CCCCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCC(C(=O)O)C(=O)O)CCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C20H26O8/c21-17(22)15(18(23)24)7-3-1-5-13-9-11-14(12-10-13)6-2-4-8-16(19(25)26)20(27)28/h9-12,15-16H,1-8H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)