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

Systemtic Name: 4-[(4-carboxy-3-ethyl-2-nitro-phenyl)disulfanyl]-2-ethyl-3-nitro-benzoic acid Openeye Name: 4-[(4-carboxy-3-ethyl-2-nitro-phenyl)disulfanyl]-2-ethyl-3-nitro-benzoic acid CAS Name: 4-[(4-carboxy-3-ethyl-2-nitrophenyl)disulfanyl]-2-ethyl-3-nitrobenzoic acid IUPAC Name: 4-[(4-carboxy-3-ethyl-2-nitrophenyl)disulfanyl]-2-ethyl-3-nitrobenzoic acid Traditional Name: 4-[(4-carboxy-3-ethyl-2-nitro-phenyl)disulfanyl]-2-ethyl-3-nitro-benzoic acid Formula: C18H16N2O8S2 MolecularWeight: 452.45824

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1[N+](=O)[O-])SSC2=C(C(=C(C=C2)C(=O)O)CC)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1[N+](=O)[O-])SSC2=C(C(=C(C=C2)C(=O)O)CC)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H16N2O8S2/c1-3-9-11(17(21)22)5-7-13(15(9)19(25)26)29-30-14-8-6-12(18(23)24)10(4-2)16(14)20(27)28/h5-8H,3-4H2,1-2H3,(H,21,22)(H,23,24)