4-[1,4-bis(hydroxymethyl)cyclohexyl]oxy-3-oxidanyl-4-sulfanylidene-butanethioic S-acid

Systemtic Name: 4-[1,4-bis(hydroxymethyl)cyclohexyl]oxy-3-oxidanyl-4-sulfanylidene-butanethioic S-acid Openeye Name: 4-[1,4-bis(hydroxymethyl)cyclohexoxy]-3-hydroxy-4-thioxo-butanethioic S-acid CAS Name: 4-[1,4-bis(hydroxymethyl)cyclohexyl]oxy-3-hydroxy-4-sulfanylidenebutanethioic S-acid IUPAC Name: 4-[1,4-bis(hydroxymethyl)cyclohexyl]oxy-3-hydroxy-4-sulfanylidenebutanethioic S-acid Traditional Name: 4-(1,4-dimethylolcyclohexoxy)-3-hydroxy-4-thioxo-thiobutyric acid Formula: C12H20O5S2 MolecularWeight: 308.4142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CO)(CO)OC(=S)C(CC(=O)S)O

Isomeric SMILES

C1CC(CCC1CO)(CO)OC(=S)C(CC(=O)S)O

InChI

InChI=1S/C12H20O5S2/c13-6-8-1-3-12(7-14,4-2-8)17-11(19)9(15)5-10(16)18/h8-9,13-15H,1-7H2,(H,16,18)