3-nitro-4-oxidanyl-2-[3-(pyridin-2-yldisulfanyl)propanoyl]benzenesulfonic acid

Systemtic Name: 3-nitro-4-oxidanyl-2-[3-(pyridin-2-yldisulfanyl)propanoyl]benzenesulfonic acid Openeye Name: 4-hydroxy-3-nitro-2-[3-(2-pyridyldisulfanyl)propanoyl]benzenesulfonic acid CAS Name: 4-hydroxy-3-nitro-2-[1-oxo-3-(2-pyridinyldisulfanyl)propyl]benzenesulfonic acid IUPAC Name: 4-hydroxy-3-nitro-2-[3-(pyridin-2-yldisulfanyl)propanoyl]benzenesulfonic acid Traditional Name: 4-hydroxy-3-nitro-2-[3-(2-pyridyldisulfanyl)propanoyl]besylic acid Formula: C14H12N2O7S3 MolecularWeight: 416.44928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SSCCC(=O)C2=C(C=CC(=C2[N+](=O)[O-])O)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SSCCC(=O)C2=C(C=CC(=C2[N+](=O)[O-])O)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O7S3/c17-9(6-8-24-25-12-3-1-2-7-15-12)13-11(26(21,22)23)5-4-10(18)14(13)16(19)20/h1-5,7,18H,6,8H2,(H,21,22,23)