bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl N-(2-sulfooxybenzimidazol-2-yl)carbamate

Systemtic Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl N-(2-sulfooxybenzimidazol-2-yl)carbamate Openeye Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl N-(2-sulfooxybenzimidazol-2-yl)carbamate CAS Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; N-(2-sulfooxy-2-benzimidazolyl)carbamic acid methyl ester IUPAC Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; methyl N-(2-sulfooxybenzimidazol-2-yl)carbamate Traditional Name: bicyclo[3.1.0]hexa-1(6),2,4-triene; N-(2-sulfoxybenzimidazol-2-yl)carbamic acid methyl ester Formula: C15H13N3O6S MolecularWeight: 363.34522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1(N=C2C=CC=CC2=N1)OS(=O)(=O)O.C1=CC2=CC2=C1

Isomeric SMILES

COC(=O)NC1(N=C2C=CC=CC2=N1)OS(=O)(=O)O.C1=CC2=CC2=C1

InChI

InChI=1S/C9H9N3O6S.C6H4/c1-17-8(13)12-9(18-19(14,15)16)10-6-4-2-3-5-7(6)11-9;1-2-5-4-6(5)3-1/h2-5H,1H3,(H,12,13)(H,14,15,16);1-4H