1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)indol-1-ium; 4-methylbenzenesulfonic acid

Systemtic Name: 1-ethyl-2,3,3-trimethyl-5-(phenylsulfonyl)indol-1-ium; 4-methylbenzenesulfonic acid Openeye Name: 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethyl-indol-1-ium; 4-methylbenzenesulfonic acid CAS Name: 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethylindol-1-ium; 4-methylbenzenesulfonic acid IUPAC Name: 5-(benzenesulfonyl)-1-ethyl-2,3,3-trimethylindol-1-ium; 4-methylbenzenesulfonic acid Traditional Name: 5-besyl-1-ethyl-2,3,3-trimethyl-indol-1-ium; tosylic acid Formula: C26H30NO5S2+ MolecularWeight: 500.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H22NO2S.C7H8O3S/c1-5-20-14(2)19(3,4)17-13-16(11-12-18(17)20)23(21,22)15-9-7-6-8-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h6-13H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;