4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-nitro-indol-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-nitro-indol-1-ium Openeye Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-nitro-indol-1-ium CAS Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-nitroindol-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-nitroindol-1-ium Traditional Name: 1,2,3,3-tetramethyl-5-nitro-indol-1-ium tosylate Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(C1(C)C)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=C(C1(C)C)C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H15N2O2.C7H8O3S/c1-8-12(2,3)10-7-9(14(15)16)5-6-11(10)13(8)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1