[4-(2-propylindolizin-4-ium-4-yl)sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(2-propylindolizin-4-ium-4-yl)sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-propylindolizin-4-ium-4-yl)sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-propyl-4-indolizin-4-iumyl)sulfonyl]phenyl] ester IUPAC Name: [4-(2-propylindolizin-4-ium-4-yl)sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-propylindolizin-4-ium-4-yl)sulfonylphenyl] ester Formula: C24H24NO5S2+ MolecularWeight: 470.58106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+]2(C=CC=CC2=C1)S(=O)(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCC1=C[N+]2(C=CC=CC2=C1)S(=O)(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H24NO5S2/c1-3-6-20-17-21-7-4-5-16-25(21,18-20)31(26,27)23-14-10-22(11-15-23)30-32(28,29)24-12-8-19(2)9-13-24/h4-5,7-18H,3,6H2,1-2H3/q+1