4-oxidanylbutyl (1Z)-2-phenyl-N-sulfooxy-ethanimidothioate

Systemtic Name: 4-oxidanylbutyl (1Z)-2-phenyl-N-sulfooxy-ethanimidothioate Openeye Name: 4-hydroxybutyl (1Z)-2-phenyl-N-sulfooxy-ethanimidothioate CAS Name: (1Z)-2-phenyl-N-sulfooxyethanimidothioic acid 4-hydroxybutyl ester IUPAC Name: 4-hydroxybutyl (1Z)-2-phenyl-N-sulfooxyethanimidothioate Traditional Name: (1Z)-2-phenyl-N-sulfoxy-thioacetimidic acid 4-hydroxybutyl ester Formula: C12H17NO5S2 MolecularWeight: 319.39708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)SCCCCO

Isomeric SMILES

C1=CC=C(C=C1)C/C(=N/OS(=O)(=O)O)/SCCCCO

InChI

InChI=1S/C12H17NO5S2/c14-8-4-5-9-19-12(13-18-20(15,16)17)10-11-6-2-1-3-7-11/h1-3,6-7,14H,4-5,8-10H2,(H,15,16,17)/b13-12-