3-[(2-chloranyl-3-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(2-chloranyl-3-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(2-chloro-3-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(2-chloro-3-methylanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(2-chloro-3-methylanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(2-chloro-3-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C10H14ClNO4S MolecularWeight: 279.74046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NCC(CS(=O)(=O)O)O)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)NCC(CS(=O)(=O)O)O)Cl

InChI

InChI=1S/C10H14ClNO4S/c1-7-3-2-4-9(10(7)11)12-5-8(13)6-17(14,15)16/h2-4,8,12-13H,5-6H2,1H3,(H,14,15,16)