(3-chloranylsulfonyl-2,6-dimethyl-phenyl) acridin-10-ium-9-carboxylate

Systemtic Name: (3-chloranylsulfonyl-2,6-dimethyl-phenyl) acridin-10-ium-9-carboxylate Openeye Name: (3-chlorosulfonyl-2,6-dimethyl-phenyl) acridin-10-ium-9-carboxylate CAS Name: 9-acridin-10-iumcarboxylic acid (3-chlorosulfonyl-2,6-dimethylphenyl) ester IUPAC Name: (3-chlorosulfonyl-2,6-dimethylphenyl) acridin-10-ium-9-carboxylate Traditional Name: acridin-10-ium-9-carboxylic acid (3-chlorosulfonyl-2,6-dimethyl-phenyl) ester Formula: C22H17ClNO4S+ MolecularWeight: 426.89268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)Cl)C)OC(=O)C2=C3C=CC=CC3=[NH+]C4=CC=CC=C42

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)Cl)C)OC(=O)C2=C3C=CC=CC3=[NH+]C4=CC=CC=C42

InChI

InChI=1S/C22H16ClNO4S/c1-13-11-12-19(29(23,26)27)14(2)21(13)28-22(25)20-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)20/h3-12H,1-2H3/p+1