[4-(methylsulfonimidoyl)phenyl] 4-chloranylbenzoate; 2,4,6-trimethylbenzenesulfonic acid

Systemtic Name: [4-(methylsulfonimidoyl)phenyl] 4-chloranylbenzoate; 2,4,6-trimethylbenzenesulfonic acid Openeye Name: [4-(methylsulfonimidoyl)phenyl] 4-chlorobenzoate; 2,4,6-trimethylbenzenesulfonic acid CAS Name: 4-chlorobenzoic acid [4-(methylsulfonimidoyl)phenyl] ester; 2,4,6-trimethylbenzenesulfonic acid IUPAC Name: [4-(methylsulfonimidoyl)phenyl] 4-chlorobenzoate; 2,4,6-trimethylbenzenesulfonic acid Traditional Name: 4-chlorobenzoic acid [4-(methylsulfonimidoyl)phenyl] ester; 2,4,6-trimethylbesylic acid Formula: C23H24ClNO6S2 MolecularWeight: 510.02276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.CS(=N)(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C.CS(=N)(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H12ClNO3S.C9H12O3S/c1-20(16,18)13-8-6-12(7-9-13)19-14(17)10-2-4-11(15)5-3-10;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h2-9,16H,1H3;4-5H,1-3H3,(H,10,11,12)