3-[[4-chloranyl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid

Systemtic Name: 3-[[4-chloranyl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Openeye Name: 3-[[4-chloro-6-(p-tolyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid CAS Name: 3-[[4-chloro-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid IUPAC Name: 3-[[4-chloro-6-(4-methylphenyl)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid Traditional Name: 3-[[4-chloro-6-(p-tolyl)-s-triazin-2-yl]amino]besylic acid Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)NC3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)NC3=CC(=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C16H13ClN4O3S/c1-10-5-7-11(8-6-10)14-19-15(17)21-16(20-14)18-12-3-2-4-13(9-12)25(22,23)24/h2-9H,1H3,(H,22,23,24)(H,18,19,20,21)