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

Systemtic Name: [3,4-bis(azanyl)phenyl] 4-chloranyl-3-methyl-benzenesulfonate Openeye Name: (3,4-diaminophenyl) 4-chloro-3-methyl-benzenesulfonate CAS Name: 4-chloro-3-methylbenzenesulfonic acid (3,4-diaminophenyl) ester IUPAC Name: (3,4-diaminophenyl) 4-chloro-3-methylbenzenesulfonate Traditional Name: 4-chloro-3-methyl-benzenesulfonic acid (3,4-diaminophenyl) ester Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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