5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid; thiolan-2-imine

Systemtic Name: 5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid; thiolan-2-imine Openeye Name: 5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid; tetrahydrothiophen-2-imine CAS Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid; 2-thiolanimine IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid; thiolan-2-imine Traditional Name: 5-[(3-carboxy-4-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid; tetrahydrothiophen-2-ylideneamine Formula: C18H15N3O8S3 MolecularWeight: 497.522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=N)SC1.C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CC(=N)SC1.C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O8S2.C4H7NS/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20;5-4-2-1-3-6-4/h1-6H,(H,17,18)(H,19,20);5H,1-3H2