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

Systemtic Name: 3-[(5-chloranyl-2-methyl-phenyl)amino]propane-1-sulfonic acid Openeye Name: 3-(5-chloro-2-methyl-anilino)propane-1-sulfonic acid CAS Name: 3-(5-chloro-2-methylanilino)-1-propanesulfonic acid IUPAC Name: 3-(5-chloro-2-methylanilino)propane-1-sulfonic acid Traditional Name: 3-(5-chloro-2-methyl-anilino)propane-1-sulfonic acid Formula: C10H14ClNO3S MolecularWeight: 263.74106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NCCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NCCCS(=O)(=O)O

InChI

InChI=1S/C10H14ClNO3S/c1-8-3-4-9(11)7-10(8)12-5-2-6-16(13,14)15/h3-4,7,12H,2,5-6H2,1H3,(H,13,14,15)