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3-[(3-carboxy-2-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid

3-[(3-carboxy-2-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid

Systemtic Name:3-[(3-carboxy-2-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid
Openeye Name:3-[(3-carboxy-2-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid
CAS Name:3-[(3-carboxy-2-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
IUPAC Name:3-[(3-carboxy-2-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
Traditional Name:3-[(3-carboxy-2-nitro-phenyl)disulfanyl]-2-nitro-benzoic acid
Formula: C14H8N2O8S2
MolecularWeight: 396.35192
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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