2-[(2E,6E)-3,7,11-trimethyl-10-oxidanylidene-dodeca-2,6-dienyl]propanedioic acid

Systemtic Name: 2-[(2E,6E)-3,7,11-trimethyl-10-oxidanylidene-dodeca-2,6-dienyl]propanedioic acid Openeye Name: 2-[(2E,6E)-3,7,11-trimethyl-10-oxo-dodeca-2,6-dienyl]propanedioic acid CAS Name: 2-[(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6-dienyl]propanedioic acid IUPAC Name: 2-[(2E,6E)-3,7,11-trimethyl-10-oxododeca-2,6-dienyl]propanedioic acid Traditional Name: 2-[(2E,6E)-10-keto-3,7,11-trimethyl-dodeca-2,6-dienyl]malonic acid Formula: C18H28O5 MolecularWeight: 324.41192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CCC(=CCCC(=CCC(C(=O)O)C(=O)O)C)C

Isomeric SMILES

CC(C)C(=O)CC/C(=C/CC/C(=C/CC(C(=O)O)C(=O)O)/C)/C

InChI

InChI=1S/C18H28O5/c1-12(2)16(19)11-9-14(4)7-5-6-13(3)8-10-15(17(20)21)18(22)23/h7-8,12,15H,5-6,9-11H2,1-4H3,(H,20,21)(H,22,23)/b13-8+,14-7+