S-[4-(4-nitrophenyl)butyl] ethanethioate

Systemtic Name: S-[4-(4-nitrophenyl)butyl] ethanethioate Openeye Name: S-[4-(4-nitrophenyl)butyl] ethanethioate CAS Name: ethanethioic acid S-[4-(4-nitrophenyl)butyl] ester IUPAC Name: S-[4-(4-nitrophenyl)butyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(4-nitrophenyl)butyl] ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCCCCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-10(14)17-9-3-2-4-11-5-7-12(8-6-11)13(15)16/h5-8H,2-4,9H2,1H3