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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1S(=O)(=O)O)N)S)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=C(C(=C(C(=C1S(=O)(=O)O)N)S)[N+](=O)[O-])CC(=O)O

InChI

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