2-[2,5-bis(azanyl)-4-nitro-phenyl]sulfanylethanesulfonic acid

Systemtic Name: 2-[2,5-bis(azanyl)-4-nitro-phenyl]sulfanylethanesulfonic acid Openeye Name: 2-(2,5-diamino-4-nitro-phenyl)sulfanylethanesulfonic acid CAS Name: 2-[(2,5-diamino-4-nitrophenyl)thio]ethanesulfonic acid IUPAC Name: 2-(2,5-diamino-4-nitrophenyl)sulfanylethanesulfonic acid Traditional Name: 2-[(2,5-diamino-4-nitro-phenyl)thio]ethanesulfonic acid Formula: C8H11N3O5S2 MolecularWeight: 293.32004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3O5S2/c9-5-4-8(17-1-2-18(14,15)16)6(10)3-7(5)11(12)13/h3-4H,1-2,9-10H2,(H,14,15,16)