methyl N-(4-nitrophenyl)-N-[3,4,5-tris(oxidanyl)-2-sulfanyl-pentoxy]carbamate

Systemtic Name: methyl N-(4-nitrophenyl)-N-[3,4,5-tris(oxidanyl)-2-sulfanyl-pentoxy]carbamate Openeye Name: methyl N-(4-nitrophenyl)-N-(3,4,5-trihydroxy-2-sulfanyl-pentoxy)carbamate CAS Name: N-(4-nitrophenyl)-N-(3,4,5-trihydroxy-2-mercaptopentoxy)carbamic acid methyl ester IUPAC Name: methyl N-(4-nitrophenyl)-N-(3,4,5-trihydroxy-2-sulfanylpentoxy)carbamate Traditional Name: N-(4-nitrophenyl)-N-(3,4,5-trihydroxy-2-mercapto-pentoxy)carbamic acid methyl ester Formula: C13H18N2O8S MolecularWeight: 362.35562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])OCC(C(C(CO)O)O)S

Isomeric SMILES

COC(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])OCC(C(C(CO)O)O)S

InChI

InChI=1S/C13H18N2O8S/c1-22-13(19)14(8-2-4-9(5-3-8)15(20)21)23-7-11(24)12(18)10(17)6-16/h2-5,10-12,16-18,24H,6-7H2,1H3