(4-chloranyl-3,5-dimethyl-phenyl) 3,4-bis(azanyl)benzenesulfonate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 3,4-bis(azanyl)benzenesulfonate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 3,4-diaminobenzenesulfonate CAS Name: 3,4-diaminobenzenesulfonic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 3,4-diaminobenzenesulfonate Traditional Name: 3,4-diaminobenzenesulfonic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC(=C(C=C2)N)N

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC(=C(C=C2)N)N

InChI

InChI=1S/C14H15ClN2O3S/c1-8-5-10(6-9(2)14(8)15)20-21(18,19)11-3-4-12(16)13(17)7-11/h3-7H,16-17H2,1-2H3