3-[(3-carboxy-5-nitro-phenyl)disulfanyl]-5-nitro-benzoic acid

Systemtic Name: 3-[(3-carboxy-5-nitro-phenyl)disulfanyl]-5-nitro-benzoic acid Openeye Name: 3-[(3-carboxy-5-nitro-phenyl)disulfanyl]-5-nitro-benzoic acid CAS Name: 3-[(3-carboxy-5-nitrophenyl)disulfanyl]-5-nitrobenzoic acid IUPAC Name: 3-[(3-carboxy-5-nitrophenyl)disulfanyl]-5-nitrobenzoic acid Traditional Name: 3-[(3-carboxy-5-nitro-phenyl)disulfanyl]-5-nitro-benzoic acid Formula: C14H8N2O8S2 MolecularWeight: 396.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])SSC2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])SSC2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C14H8N2O8S2/c17-13(18)7-1-9(15(21)22)5-11(3-7)25-26-12-4-8(14(19)20)2-10(6-12)16(23)24/h1-6H,(H,17,18)(H,19,20)