4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-nitro-2H-indole

Systemtic Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-nitro-2H-indole Openeye Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-nitro-indoline CAS Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-nitro-2H-indole IUPAC Name: 4-methylbenzenesulfonate; 1,2,3,3-tetramethyl-5-nitro-2H-indole Traditional Name: 1,2,3,3-tetramethyl-5-nitro-indoline tosylate Formula: C19H23N2O5S- MolecularWeight: 391.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1C)C=CC(=C2)[N+](=O)[O-])(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1C(C2=C(N1C)C=CC(=C2)[N+](=O)[O-])(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16N2O2.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/h5-8H,1-4H3;2-5H,1H3,(H,8,9,10)/p-1