benzene; (2-methyl-1-oxidanylidene-but-3-en-2-yl) ethanoate

Systemtic Name: benzene; (2-methyl-1-oxidanylidene-but-3-en-2-yl) ethanoate Openeye Name: benzene; (1-formyl-1-methyl-allyl) acetate CAS Name: acetic acid (2-methyl-1-oxobut-3-en-2-yl) ester; benzene IUPAC Name: benzene; (2-methyl-1-oxobut-3-en-2-yl) acetate Traditional Name: acetic acid (1-formyl-1-methyl-allyl) ester; benzene Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C=C)C=O.C1=CC=CC=C1

Isomeric SMILES

CC(=O)OC(C)(C=C)C=O.C1=CC=CC=C1

InChI

InChI=1S/C7H10O3.C6H6/c1-4-7(3,5-8)10-6(2)9;1-2-4-6-5-3-1/h4-5H,1H2,2-3H3;1-6H