2-(5-azanyl-2-nitro-3-sulfanyl-4-sulfo-phenyl)ethanoic acid

Systemtic Name: 2-(5-azanyl-2-nitro-3-sulfanyl-4-sulfo-phenyl)ethanoic acid Openeye Name: 2-(5-amino-2-nitro-3-sulfanyl-4-sulfo-phenyl)acetic acid CAS Name: 2-(5-amino-3-mercapto-2-nitro-4-sulfophenyl)acetic acid IUPAC Name: 2-(5-amino-2-nitro-3-sulfanyl-4-sulfophenyl)acetic acid Traditional Name: 2-(5-amino-3-mercapto-2-nitro-4-sulfo-phenyl)acetic acid Formula: C8H8N2O7S2 MolecularWeight: 308.28832

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1N)S(=O)(=O)O)S)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=C(C(=C(C(=C1N)S(=O)(=O)O)S)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C8H8N2O7S2/c9-4-1-3(2-5(11)12)6(10(13)14)7(18)8(4)19(15,16)17/h1,18H,2,9H2,(H,11,12)(H,15,16,17)