S-(4-nitrophenyl) hex-5-ynethioate

Systemtic Name: S-(4-nitrophenyl) hex-5-ynethioate Openeye Name: S-(4-nitrophenyl) hex-5-ynethioate CAS Name: 5-hexynethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) hex-5-ynethioate Traditional Name: hex-5-ynethioic acid S-(4-nitrophenyl) ester Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C#CCCCC(=O)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H11NO3S/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h1,6-9H,3-5H2