1,1-diethoxyethane; (E)-12-oxidanylidene-8-sulfanyl-heptadec-9-enenitrile

Systemtic Name: 1,1-diethoxyethane; (E)-12-oxidanylidene-8-sulfanyl-heptadec-9-enenitrile Openeye Name: 1,1-diethoxyethane; (E)-12-oxo-8-sulfanyl-heptadec-9-enenitrile CAS Name: 1,1-diethoxyethane; (E)-8-mercapto-12-oxo-9-heptadecenenitrile IUPAC Name: 1,1-diethoxyethane; (E)-12-oxo-8-sulfanylheptadec-9-enenitrile Traditional Name: 1,1-diethoxyethane; (E)-12-keto-8-mercapto-heptadec-9-enenitrile Formula: C23H43NO3S MolecularWeight: 413.65742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NOS.C6H14O2/c1-2-3-7-11-16(19)12-10-14-17(20)13-8-5-4-6-9-15-18;1-4-7-6(3)8-5-2/h10,14,17,20H,2-9,11-13H2,1H3;6H,4-5H2,1-3H3/b14-10+;