(NE)-N-(6-bromanyl-3,3-dimethyl-2H-inden-1-ylidene)hydroxylamine; 4-methylbenzenesulfonate

Systemtic Name: (NE)-N-(6-bromanyl-3,3-dimethyl-2H-inden-1-ylidene)hydroxylamine; 4-methylbenzenesulfonate Openeye Name: 6-bromo-3,3-dimethyl-indan-1-one oxime; 4-methylbenzenesulfonate CAS Name: 6-bromo-3,3-dimethyl-2H-inden-1-one oxime; 4-methylbenzenesulfonate IUPAC Name: (NE)-N-(6-bromo-3,3-dimethyl-2H-inden-1-ylidene)hydroxylamine; 4-methylbenzenesulfonate Traditional Name: 6-bromo-3,3-dimethyl-indan-1-one oxime tosylate Formula: C18H19BrNO4S- MolecularWeight: 425.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(CC(=NO)C2=C1C=CC(=C2)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C/C(=N\O)/C2=C1C=CC(=C2)Br)C

InChI

InChI=1S/C11H12BrNO.C7H8O3S/c1-11(2)6-10(13-14)8-5-7(12)3-4-9(8)11;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,14H,6H2,1-2H3;2-5H,1H3,(H,8,9,10)/p-1/b13-10+;