2,6-bis(azanyl)-2-(2-nitrophenyl)sulfanyl-hexanoic acid

Systemtic Name: 2,6-bis(azanyl)-2-(2-nitrophenyl)sulfanyl-hexanoic acid Openeye Name: 2,6-diamino-2-(2-nitrophenyl)sulfanyl-hexanoic acid CAS Name: 2,6-diamino-2-[(2-nitrophenyl)thio]hexanoic acid IUPAC Name: 2,6-diamino-2-(2-nitrophenyl)sulfanylhexanoic acid Traditional Name: 2,6-diamino-2-[(2-nitrophenyl)thio]hexanoic acid Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c13-8-4-3-7-12(14,11(16)17)20-10-6-2-1-5-9(10)15(18)19/h1-2,5-6H,3-4,7-8,13-14H2,(H,16,17)