5-[(3-carbamimidoyl-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid

Systemtic Name: 5-[(3-carbamimidoyl-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid Openeye Name: 5-[(3-carbamimidoyl-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid CAS Name: 5-[(3-carbamimidoyl-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid IUPAC Name: 5-[(3-carbamimidoyl-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid Traditional Name: 5-[(3-amidino-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid Formula: C14H10N4O6S2 MolecularWeight: 394.3824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O6S2/c15-13(16)9-5-7(1-3-11(9)17(21)22)25-26-8-2-4-12(18(23)24)10(6-8)14(19)20/h1-6H,(H3,15,16)(H,19,20)