2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chloranyl-2-methyl-phenyl)sulfonylethanoic acid

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chloranyl-2-methyl-phenyl)sulfonylethanoic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chloro-2-methyl-phenyl)sulfonylacetic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chloro-2-methylphenyl)sulfonylacetic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chloro-2-methylphenyl)sulfonylacetic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; 2-(4-chloro-2-methyl-phenyl)sulfonylacetic acid Formula: C15H24ClNO7S MolecularWeight: 397.87156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)S(=O)(=O)CC(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)S(=O)(=O)CC(=O)O.C(CO)N(CCO)CCO

InChI

InChI=1S/C9H9ClO4S.C6H15NO3/c1-6-4-7(10)2-3-8(6)15(13,14)5-9(11)12;8-4-1-7(2-5-9)3-6-10/h2-4H,5H2,1H3,(H,11,12);8-10H,1-6H2