4-(2-chloranylsulfonylphenyl)-1,3,6,8,10-pentamethyl-acridin-10-ium-9-carboxylic acid

Systemtic Name: 4-(2-chloranylsulfonylphenyl)-1,3,6,8,10-pentamethyl-acridin-10-ium-9-carboxylic acid Openeye Name: 4-(2-chlorosulfonylphenyl)-1,3,6,8,10-pentamethyl-acridin-10-ium-9-carboxylic acid CAS Name: 4-(2-chlorosulfonylphenyl)-1,3,6,8,10-pentamethyl-9-acridin-10-iumcarboxylic acid IUPAC Name: 4-(2-chlorosulfonylphenyl)-1,3,6,8,10-pentamethylacridin-10-ium-9-carboxylic acid Traditional Name: 4-(2-chlorosulfonylphenyl)-1,3,6,8,10-pentamethyl-acridin-10-ium-9-carboxylic acid Formula: C25H23ClNO4S+ MolecularWeight: 468.97242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)[N+](=C3C(=C2C(=O)O)C(=CC(=C3C4=CC=CC=C4S(=O)(=O)Cl)C)C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)[N+](=C3C(=C2C(=O)O)C(=CC(=C3C4=CC=CC=C4S(=O)(=O)Cl)C)C)C)C

InChI

InChI=1S/C25H22ClNO4S/c1-13-10-14(2)21-18(11-13)27(5)24-20(17-8-6-7-9-19(17)32(26,30)31)15(3)12-16(4)22(24)23(21)25(28)29/h6-12H,1-5H3/p+1