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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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