3-nitro-4-phenyl-benzenecarbothioic S-acid

Systemtic Name: 3-nitro-4-phenyl-benzenecarbothioic S-acid Openeye Name: 3-nitro-4-phenyl-benzenecarbothioic S-acid CAS Name: 3-nitro-4-phenylbenzenecarbothioic S-acid IUPAC Name: 3-nitro-4-phenylbenzenecarbothioic S-acid Traditional Name: 3-nitro-4-phenyl-thiobenzoic acid Formula: C13H9NO3S MolecularWeight: 259.28046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9NO3S/c15-13(18)10-6-7-11(12(8-10)14(16)17)9-4-2-1-3-5-9/h1-8H,(H,15,18)