4-ethyl-5,6,7-tris(oxidanyl)-4-sulfanyl-heptane-3-thione

Systemtic Name: 4-ethyl-5,6,7-tris(oxidanyl)-4-sulfanyl-heptane-3-thione Openeye Name: 4-ethyl-5,6,7-trihydroxy-4-sulfanyl-heptane-3-thione CAS Name: 4-ethyl-5,6,7-trihydroxy-4-mercapto-3-heptanethione IUPAC Name: 4-ethyl-5,6,7-trihydroxy-4-sulfanylheptane-3-thione Traditional Name: 4-ethyl-5,6,7-trihydroxy-4-mercapto-heptane-3-thione Formula: C9H18O3S2 MolecularWeight: 238.36742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H18O3S2/c1-3-7(13)9(14,4-2)8(12)6(11)5-10/h6,8,10-12,14H,3-5H2,1-2H3