4-[[5-(4-carboxy-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzoic acid

Systemtic Name: 4-[[5-(4-carboxy-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzoic acid Openeye Name: 4-[[5-(4-carboxy-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzoic acid CAS Name: 4-[[5-[(4-carboxy-2-nitrophenyl)thio]-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzoic acid IUPAC Name: 4-[[5-(4-carboxy-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzoic acid Traditional Name: 4-[[5-[(4-carboxy-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzoic acid Formula: C16H8N4O8S3 MolecularWeight: 480.45172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SC2=NN=C(S2)SC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H8N4O8S3/c21-13(22)7-1-3-11(9(5-7)19(25)26)29-15-17-18-16(31-15)30-12-4-2-8(14(23)24)6-10(12)20(27)28/h1-6H,(H,21,22)(H,23,24)