8-cyano-2-(1,1-diethoxyethyl)-2-sulfanyl-oct-4-ynoic acid

Systemtic Name: 8-cyano-2-(1,1-diethoxyethyl)-2-sulfanyl-oct-4-ynoic acid Openeye Name: 8-cyano-2-(1,1-diethoxyethyl)-2-sulfanyl-oct-4-ynoic acid CAS Name: 8-cyano-2-(1,1-diethoxyethyl)-2-mercapto-4-octynoic acid IUPAC Name: 8-cyano-2-(1,1-diethoxyethyl)-2-sulfanyloct-4-ynoic acid Traditional Name: 8-cyano-2-(1,1-diethoxyethyl)-2-mercapto-oct-4-ynoic acid Formula: C15H23NO4S MolecularWeight: 313.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C(CC#CCCCC#N)(C(=O)O)S)OCC

Isomeric SMILES

CCOC(C)(C(CC#CCCCC#N)(C(=O)O)S)OCC

InChI

InChI=1S/C15H23NO4S/c1-4-19-14(3,20-5-2)15(21,13(17)18)11-9-7-6-8-10-12-16/h21H,4-6,8,10-11H2,1-3H3,(H,17,18)