3-[3-nitro-4,5-bis(oxidanyl)phenyl]propanethioic S-acid

Systemtic Name: 3-[3-nitro-4,5-bis(oxidanyl)phenyl]propanethioic S-acid Openeye Name: 3-(3,4-dihydroxy-5-nitro-phenyl)propanethioic S-acid CAS Name: 3-(3,4-dihydroxy-5-nitrophenyl)propanethioic S-acid IUPAC Name: 3-(3,4-dihydroxy-5-nitrophenyl)propanethioic S-acid Traditional Name: 3-(3,4-dihydroxy-5-nitro-phenyl)thiopropionic acid Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)CCC(=O)S

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)CCC(=O)S

InChI

InChI=1S/C9H9NO5S/c11-7-4-5(1-2-8(12)16)3-6(9(7)13)10(14)15/h3-4,11,13H,1-2H2,(H,12,16)