6-cyclopentyl-3-ethynyl-pyran-2,4-dione; methylbenzene

Systemtic Name: 6-cyclopentyl-3-ethynyl-pyran-2,4-dione; methylbenzene Openeye Name: 6-cyclopentyl-3-ethynyl-pyran-2,4-dione; toluene CAS Name: 6-cyclopentyl-3-ethynylpyran-2,4-dione; toluene IUPAC Name: 6-cyclopentyl-3-ethynylpyran-2,4-dione; toluene Traditional Name: 6-cyclopentyl-3-ethynyl-pyran-2,4-quinone; toluene Formula: C19H20O3 MolecularWeight: 296.3603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C#CC1C(=O)C=C(OC1=O)C2CCCC2

Isomeric SMILES

CC1=CC=CC=C1.C#CC1C(=O)C=C(OC1=O)C2CCCC2

InChI

InChI=1S/C12H12O3.C7H8/c1-2-9-10(13)7-11(15-12(9)14)8-5-3-4-6-8;1-7-5-3-2-4-6-7/h1,7-9H,3-6H2;2-6H,1H3