4-(2-ethyl-3-oxidanyl-hexoxy)-3-oxidanyl-4-sulfanylidene-butanethioic S-acid

Systemtic Name: 4-(2-ethyl-3-oxidanyl-hexoxy)-3-oxidanyl-4-sulfanylidene-butanethioic S-acid Openeye Name: 4-(2-ethyl-3-hydroxy-hexoxy)-3-hydroxy-4-thioxo-butanethioic S-acid CAS Name: 4-(2-ethyl-3-hydroxyhexoxy)-3-hydroxy-4-sulfanylidenebutanethioic S-acid IUPAC Name: 4-(2-ethyl-3-hydroxyhexoxy)-3-hydroxy-4-sulfanylidenebutanethioic S-acid Traditional Name: 4-(2-ethyl-3-hydroxy-hexoxy)-3-hydroxy-4-thioxo-thiobutyric acid Formula: C12H22O4S2 MolecularWeight: 294.43068

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)COC(=S)C(CC(=O)S)O)O

Isomeric SMILES

CCCC(C(CC)COC(=S)C(CC(=O)S)O)O

InChI

InChI=1S/C12H22O4S2/c1-3-5-9(13)8(4-2)7-16-12(18)10(14)6-11(15)17/h8-10,13-14H,3-7H2,1-2H3,(H,15,17)