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

Systemtic Name: [4-(2-butylindolizin-4-ium-4-yl)sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-(2-butylindolizin-4-ium-4-yl)sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(2-butyl-4-indolizin-4-iumyl)sulfonyl]phenyl] ester IUPAC Name: [4-(2-butylindolizin-4-ium-4-yl)sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(2-butylindolizin-4-ium-4-yl)sulfonylphenyl] ester Formula: C25H26NO5S2+ MolecularWeight: 484.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C25H26NO5S2/c1-3-4-7-21-18-22-8-5-6-17-26(22,19-21)32(27,28)24-15-11-23(12-16-24)31-33(29,30)25-13-9-20(2)10-14-25/h5-6,8-19H,3-4,7H2,1-2H3/q+1