5-azanyl-2-(4-chloranyl-3-methyl-phenoxy)benzenesulfonic acid

Systemtic Name: 5-azanyl-2-(4-chloranyl-3-methyl-phenoxy)benzenesulfonic acid Openeye Name: 5-amino-2-(4-chloro-3-methyl-phenoxy)benzenesulfonic acid CAS Name: 5-amino-2-(4-chloro-3-methylphenoxy)benzenesulfonic acid IUPAC Name: 5-amino-2-(4-chloro-3-methylphenoxy)benzenesulfonic acid Traditional Name: 5-amino-2-(4-chloro-3-methyl-phenoxy)besylic acid Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)N)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)N)S(=O)(=O)O)Cl

InChI

InChI=1S/C13H12ClNO4S/c1-8-6-10(3-4-11(8)14)19-12-5-2-9(15)7-13(12)20(16,17)18/h2-7H,15H2,1H3,(H,16,17,18)