(4-nitrophenyl)methyl N-[3-oxidanyl-1,2-bis(sulfanyl)propyl]carbamate

Systemtic Name: (4-nitrophenyl)methyl N-[3-oxidanyl-1,2-bis(sulfanyl)propyl]carbamate Openeye Name: (4-nitrophenyl)methyl N-[3-hydroxy-1,2-bis(sulfanyl)propyl]carbamate CAS Name: N-(3-hydroxy-1,2-dimercaptopropyl)carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N-[3-hydroxy-1,2-bis(sulfanyl)propyl]carbamate Traditional Name: N-(3-hydroxy-1,2-dimercapto-propyl)carbamic acid (4-nitrobenzyl) ester Formula: C11H14N2O5S2 MolecularWeight: 318.36926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NC(C(CO)S)S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NC(C(CO)S)S)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O5S2/c14-5-9(19)10(20)12-11(15)18-6-7-1-3-8(4-2-7)13(16)17/h1-4,9-10,14,19-20H,5-6H2,(H,12,15)