S-phenyl 4-nitrobenzenecarbothioate

Systemtic Name: S-phenyl 4-nitrobenzenecarbothioate Openeye Name: S-phenyl 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-phenyl ester IUPAC Name: S-phenyl 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-phenyl ester Formula: C13H9NO3S MolecularWeight: 259.28046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H9NO3S/c15-13(18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h1-9H