1-azanyl-2-sulfosulfanyl-benzene; tert-butyl 4-(methylamino)butanoate

Systemtic Name: 1-azanyl-2-sulfosulfanyl-benzene; tert-butyl 4-(methylamino)butanoate Openeye Name: 1-amino-2-sulfosulfanyl-benzene; tert-butyl 4-(methylamino)butanoate CAS Name: 1-amino-2-(sulfothio)benzene; 4-(methylamino)butanoic acid tert-butyl ester IUPAC Name: 1-amino-2-sulfosulfanylbenzene; tert-butyl 4-(methylamino)butanoate Traditional Name: 1-amino-2-(sulfothio)benzene; 4-(methylamino)butyric acid tert-butyl ester Formula: C15H26N2O5S2 MolecularWeight: 378.50734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC.C1=CC=C(C(=C1)N)SS(=O)(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC.C1=CC=C(C(=C1)N)SS(=O)(=O)O

InChI

InChI=1S/C9H19NO2.C6H7NO3S2/c1-9(2,3)12-8(11)6-5-7-10-4;7-5-3-1-2-4-6(5)11-12(8,9)10/h10H,5-7H2,1-4H3;1-4H,7H2,(H,8,9,10)