6-cyano-7-methyl-6-thiophen-2-yl-octan-3-olate

Systemtic Name: 6-cyano-7-methyl-6-thiophen-2-yl-octan-3-olate Openeye Name: 6-cyano-7-methyl-6-(2-thienyl)octan-3-olate CAS Name: 6-cyano-7-methyl-6-thiophen-2-yl-3-octanolate IUPAC Name: 6-cyano-7-methyl-6-thiophen-2-yloctan-3-olate Traditional Name: 6-cyano-7-methyl-6-(2-thienyl)octan-3-olate Formula: C14H20NOS- MolecularWeight: 250.3797

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1=CC=CS1)C(C)C)[O-]

Isomeric SMILES

CCC(CCC(C#N)(C1=CC=CS1)C(C)C)[O-]

InChI

InChI=1S/C14H20NOS/c1-4-12(16)7-8-14(10-15,11(2)3)13-6-5-9-17-13/h5-6,9,11-12H,4,7-8H2,1-3H3/q-1