(E)-2,4-dimethyl-5-sulfooxy-pent-2-enoic acid

Systemtic Name: (E)-2,4-dimethyl-5-sulfooxy-pent-2-enoic acid Openeye Name: (E)-2,4-dimethyl-5-sulfooxy-pent-2-enoic acid CAS Name: (E)-2,4-dimethyl-5-sulfooxy-2-pentenoic acid IUPAC Name: (E)-2,4-dimethyl-5-sulfooxypent-2-enoic acid Traditional Name: (E)-2,4-dimethyl-5-sulfoxy-pent-2-enoic acid Formula: C7H12O6S MolecularWeight: 224.23158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=O)O)C=C(C)C(=O)O

Isomeric SMILES

CC(COS(=O)(=O)O)/C=C(\C)/C(=O)O

InChI

InChI=1S/C7H12O6S/c1-5(3-6(2)7(8)9)4-13-14(10,11)12/h3,5H,4H2,1-2H3,(H,8,9)(H,10,11,12)/b6-3+