1-oxidanylbutyl 2,2-bis(sulfanyl)ethanoate

Systemtic Name: 1-oxidanylbutyl 2,2-bis(sulfanyl)ethanoate Openeye Name: 1-hydroxybutyl 2,2-bis(sulfanyl)acetate CAS Name: 2,2-dimercaptoacetic acid 1-hydroxybutyl ester IUPAC Name: 1-hydroxybutyl 2,2-bis(sulfanyl)acetate Traditional Name: 2,2-dimercaptoacetic acid 1-hydroxybutyl ester Formula: C6H12O3S2 MolecularWeight: 196.28768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(O)OC(=O)C(S)S

Isomeric SMILES

CCCC(O)OC(=O)C(S)S

InChI

InChI=1S/C6H12O3S2/c1-2-3-4(7)9-5(8)6(10)11/h4,6-7,10-11H,2-3H2,1H3