(2E,5E)-3,5-dimethyl-4-sulfanyl-hepta-2,5-dienedioic acid

Systemtic Name: (2E,5E)-3,5-dimethyl-4-sulfanyl-hepta-2,5-dienedioic acid Openeye Name: (2E,5E)-3,5-dimethyl-4-sulfanyl-hepta-2,5-dienedioic acid CAS Name: (2E,5E)-4-mercapto-3,5-dimethylhepta-2,5-dienedioic acid IUPAC Name: (2E,5E)-3,5-dimethyl-4-sulfanylhepta-2,5-dienedioic acid Traditional Name: (2E,5E)-4-mercapto-3,5-dimethyl-hepta-2,5-dienedioic acid Formula: C9H12O4S MolecularWeight: 216.25418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C(=O)O)/C(S)/C(=C/C(=O)O)/C

InChI

InChI=1S/C9H12O4S/c1-5(3-7(10)11)9(14)6(2)4-8(12)13/h3-4,9,14H,1-2H3,(H,10,11)(H,12,13)/b5-3+,6-4+