methyl (E)-6-oxidanylidene-8-thiocyanato-oct-7-enoate

Systemtic Name: methyl (E)-6-oxidanylidene-8-thiocyanato-oct-7-enoate Openeye Name: methyl (E)-6-oxo-8-thiocyanato-oct-7-enoate CAS Name: (E)-6-oxo-8-thiocyanato-7-octenoic acid methyl ester IUPAC Name: methyl (E)-6-oxo-8-thiocyanatooct-7-enoate Traditional Name: (E)-6-keto-8-thiocyanato-oct-7-enoic acid methyl ester Formula: C10H13NO3S MolecularWeight: 227.28012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC(=O)C=CSC#N

Isomeric SMILES

COC(=O)CCCCC(=O)/C=C/SC#N

InChI

InChI=1S/C10H13NO3S/c1-14-10(13)5-3-2-4-9(12)6-7-15-8-11/h6-7H,2-5H2,1H3/b7-6+