azane; 2-nitro-5-(octyldisulfanyl)benzoic acid

Systemtic Name: azane; 2-nitro-5-(octyldisulfanyl)benzoic acid Openeye Name: ammonia; 2-nitro-5-(octyldisulfanyl)benzoic acid CAS Name: ammonia; 2-nitro-5-(octyldisulfanyl)benzoic acid IUPAC Name: azane; 2-nitro-5-(octyldisulfanyl)benzoic acid Traditional Name: ammonia; 2-nitro-5-(octyldisulfanyl)benzoic acid Formula: C15H24N2O4S2 MolecularWeight: 360.49206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O.N

Isomeric SMILES

CCCCCCCCSSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O.N

InChI

InChI=1S/C15H21NO4S2.H3N/c1-2-3-4-5-6-7-10-21-22-12-8-9-14(16(19)20)13(11-12)15(17)18;/h8-9,11H,2-7,10H2,1H3,(H,17,18);1H3