methylbenzene; (E)-2-methyl-4-oxidanyl-hex-2-enoate; dicyanate

Systemtic Name: methylbenzene; (E)-2-methyl-4-oxidanyl-hex-2-enoate; dicyanate Openeye Name: (E)-4-hydroxy-2-methyl-hex-2-enoate; toluene; dicyanate CAS Name: (E)-4-hydroxy-2-methyl-2-hexenoate; toluene; dicyanate IUPAC Name: (E)-4-hydroxy-2-methylhex-2-enoate; toluene; dicyanate Traditional Name: (E)-4-hydroxy-2-methyl-hex-2-enoate; toluene; dicyanate Formula: C16H19N2O5-3 MolecularWeight: 319.33246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=C(C)C(=O)[O-])O.CC1=CC=CC=C1.C(#N)[O-].C(#N)[O-]

Isomeric SMILES

CCC(/C=C(\C)/C(=O)[O-])O.CC1=CC=CC=C1.C(#N)[O-].C(#N)[O-]

InChI

InChI=1S/C7H12O3.C7H8.2CHNO/c1-3-6(8)4-5(2)7(9)10;1-7-5-3-2-4-6-7;2*2-1-3/h4,6,8H,3H2,1-2H3,(H,9,10);2-6H,1H3;2*3H/p-3/b5-4+;;;