1,1-diethoxyethane; methyl 8-cyano-2-sulfanyl-octanoate

Systemtic Name: 1,1-diethoxyethane; methyl 8-cyano-2-sulfanyl-octanoate Openeye Name: 1,1-diethoxyethane; methyl 8-cyano-2-sulfanyl-octanoate CAS Name: 8-cyano-2-mercaptooctanoic acid methyl ester; 1,1-diethoxyethane IUPAC Name: 1,1-diethoxyethane; methyl 8-cyano-2-sulfanyloctanoate Traditional Name: 8-cyano-2-mercapto-caprylic acid methyl ester; 1,1-diethoxyethane Formula: C16H31NO4S MolecularWeight: 333.48664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OCC.COC(=O)C(CCCCCCC#N)S

Isomeric SMILES

CCOC(C)OCC.COC(=O)C(CCCCCCC#N)S

InChI

InChI=1S/C10H17NO2S.C6H14O2/c1-13-10(12)9(14)7-5-3-2-4-6-8-11;1-4-7-6(3)8-5-2/h9,14H,2-7H2,1H3;6H,4-5H2,1-3H3