(3-chloranyl-4-methyl-phenyl) 3,4-bis(azanyl)benzenesulfonate

Systemtic Name: (3-chloranyl-4-methyl-phenyl) 3,4-bis(azanyl)benzenesulfonate Openeye Name: (3-chloro-4-methyl-phenyl) 3,4-diaminobenzenesulfonate CAS Name: 3,4-diaminobenzenesulfonic acid (3-chloro-4-methylphenyl) ester IUPAC Name: (3-chloro-4-methylphenyl) 3,4-diaminobenzenesulfonate Traditional Name: 3,4-diaminobenzenesulfonic acid (3-chloro-4-methyl-phenyl) ester Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)N)N)Cl

InChI

InChI=1S/C13H13ClN2O3S/c1-8-2-3-9(6-11(8)14)19-20(17,18)10-4-5-12(15)13(16)7-10/h2-7H,15-16H2,1H3