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

Systemtic Name: 5-[3-[(3-carboxy-4-nitro-phenyl)disulfanyl]propyldisulfanyl]-2-nitro-benzoic acid Openeye Name: 5-[3-[(3-carboxy-4-nitro-phenyl)disulfanyl]propyldisulfanyl]-2-nitro-benzoic acid CAS Name: 5-[3-[(3-carboxy-4-nitrophenyl)disulfanyl]propyldisulfanyl]-2-nitrobenzoic acid IUPAC Name: 5-[3-[(3-carboxy-4-nitrophenyl)disulfanyl]propyldisulfanyl]-2-nitrobenzoic acid Traditional Name: 5-[3-[(3-carboxy-4-nitro-phenyl)disulfanyl]propyldisulfanyl]-2-nitro-benzoic acid Formula: C17H14N2O8S4 MolecularWeight: 502.56166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SSCCCSSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SSCCCSSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O8S4/c20-16(21)12-8-10(2-4-14(12)18(24)25)30-28-6-1-7-29-31-11-3-5-15(19(26)27)13(9-11)17(22)23/h2-5,8-9H,1,6-7H2,(H,20,21)(H,22,23)