3-chloranyl-4-oxidanyl-5-[(phenylmethyl)amino]benzenesulfonic acid

Systemtic Name: 3-chloranyl-4-oxidanyl-5-[(phenylmethyl)amino]benzenesulfonic acid Openeye Name: 3-(benzylamino)-5-chloro-4-hydroxy-benzenesulfonic acid CAS Name: 3-chloro-4-hydroxy-5-[(phenylmethyl)amino]benzenesulfonic acid IUPAC Name: 3-(benzylamino)-5-chloro-4-hydroxybenzenesulfonic acid Traditional Name: 3-(benzylamino)-5-chloro-4-hydroxy-besylic acid Formula: C13H12ClNO4S MolecularWeight: 313.75668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=CC(=C2O)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=CC(=C2O)Cl)S(=O)(=O)O

InChI

InChI=1S/C13H12ClNO4S/c14-11-6-10(20(17,18)19)7-12(13(11)16)15-8-9-4-2-1-3-5-9/h1-7,15-16H,8H2,(H,17,18,19)