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

Systemtic Name: S-(4-nitrophenyl) hex-5-enethioate Openeye Name: S-(4-nitrophenyl) hex-5-enethioate CAS Name: 5-hexenethioic acid S-(4-nitrophenyl) ester IUPAC Name: S-(4-nitrophenyl) hex-5-enethioate Traditional Name: hex-5-enethioic acid S-(4-nitrophenyl) ester Formula: C12H13NO3S MolecularWeight: 251.30152

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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/C12H13NO3S/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h2,6-9H,1,3-5H2