1-(3-azanyl-5-chloranyl-2-methyl-phenyl)propane-1-sulfonic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC(=C1C)N)Cl)S(=O)(=O)O

Isomeric SMILES

CCC(C1=CC(=CC(=C1C)N)Cl)S(=O)(=O)O

InChI

InChI=1S/C10H14ClNO3S/c1-3-10(16(13,14)15)8-4-7(11)5-9(12)6(8)2/h4-5,10H,3,12H2,1-2H3,(H,13,14,15)