3-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(5-chloro-2-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(5-chloro-2-methylanilino)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(5-chloro-2-methylanilino)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(5-chloro-2-methyl-anilino)-2-hydroxy-propane-1-sulfonic acid Formula: C10H14ClNO4S MolecularWeight: 279.74046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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