(2E,9E)-4-(hydroxymethyl)-8-methyl-6-sulfanylidene-undeca-2,9-dienedioic acid

Systemtic Name: (2E,9E)-4-(hydroxymethyl)-8-methyl-6-sulfanylidene-undeca-2,9-dienedioic acid Openeye Name: (2E,9E)-4-(hydroxymethyl)-8-methyl-6-thioxo-undeca-2,9-dienedioic acid CAS Name: (2E,9E)-4-(hydroxymethyl)-8-methyl-6-sulfanylideneundeca-2,9-dienedioic acid IUPAC Name: (2E,9E)-4-(hydroxymethyl)-8-methyl-6-sulfanylideneundeca-2,9-dienedioic acid Traditional Name: (2E,9E)-4-methyl-8-methylol-6-thioxo-undeca-2,9-dienedioic acid Formula: C13H18O5S MolecularWeight: 286.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=S)CC(CO)C=CC(=O)O)C=CC(=O)O

Isomeric SMILES

CC(CC(=S)CC(CO)/C=C/C(=O)O)/C=C/C(=O)O

InChI

InChI=1S/C13H18O5S/c1-9(2-4-12(15)16)6-11(19)7-10(8-14)3-5-13(17)18/h2-5,9-10,14H,6-8H2,1H3,(H,15,16)(H,17,18)/b4-2+,5-3+