methylbenzene; (Z)-2-methyl-1-oxidanyl-3-oxidanylidene-pent-1-en-1-olate; dicyanate

Systemtic Name: methylbenzene; (Z)-2-methyl-1-oxidanyl-3-oxidanylidene-pent-1-en-1-olate; dicyanate Openeye Name: (Z)-1-hydroxy-2-methyl-3-oxo-pent-1-en-1-olate; toluene; dicyanate CAS Name: (Z)-1-hydroxy-2-methyl-3-oxo-1-penten-1-olate; toluene; dicyanate IUPAC Name: (Z)-1-hydroxy-2-methyl-3-oxopent-1-en-1-olate; toluene; dicyanate Traditional Name: (Z)-1-hydroxy-3-keto-2-methyl-pent-1-en-1-olate; toluene; dicyanate Formula: C15H17N2O5-3 MolecularWeight: 305.30588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C6H10O3.2CHNO/c1-7-5-3-2-4-6-7;1-3-5(7)4(2)6(8)9;2*2-1-3/h2-6H,1H3;8-9H,3H2,1-2H3;2*3H/p-3