2-[(3-chlorophenyl)-(2-sulfooxyethyl)amino]ethyl hydrogen sulfate

Systemtic Name: 2-[(3-chlorophenyl)-(2-sulfooxyethyl)amino]ethyl hydrogen sulfate Openeye Name: 2-[3-chloro-N-(2-sulfooxyethyl)anilino]ethyl hydrogen sulfate CAS Name: sulfuric acid 2-[3-chloro-N-(2-sulfooxyethyl)anilino]ethyl ester IUPAC Name: 2-[3-chloro-N-(2-sulfooxyethyl)anilino]ethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[3-chloro-N-(2-sulfoxyethyl)anilino]ethyl ester Formula: C10H14ClNO8S2 MolecularWeight: 375.80306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)N(CCOS(=O)(=O)O)CCOS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)N(CCOS(=O)(=O)O)CCOS(=O)(=O)O

InChI

InChI=1S/C10H14ClNO8S2/c11-9-2-1-3-10(8-9)12(4-6-19-21(13,14)15)5-7-20-22(16,17)18/h1-3,8H,4-7H2,(H,13,14,15)(H,16,17,18)