3-nitro-4-phenyl-5-(thiophen-3-ylmethylsulfanyl)benzoic acid

Systemtic Name: 3-nitro-4-phenyl-5-(thiophen-3-ylmethylsulfanyl)benzoic acid Openeye Name: 3-nitro-4-phenyl-5-(3-thienylmethylsulfanyl)benzoic acid CAS Name: 3-nitro-4-phenyl-5-(3-thiophenylmethylthio)benzoic acid IUPAC Name: 3-nitro-4-phenyl-5-(thiophen-3-ylmethylsulfanyl)benzoic acid Traditional Name: 3-nitro-4-phenyl-5-(3-thenylthio)benzoic acid Formula: C18H13NO4S2 MolecularWeight: 371.43012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2SCC3=CSC=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2SCC3=CSC=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO4S2/c20-18(21)14-8-15(19(22)23)17(13-4-2-1-3-5-13)16(9-14)25-11-12-6-7-24-10-12/h1-10H,11H2,(H,20,21)