methyl 4-(1-methoxy-1-oxidanylidene-pent-4-yn-2-yl)benzoate

Systemtic Name: methyl 4-(1-methoxy-1-oxidanylidene-pent-4-yn-2-yl)benzoate Openeye Name: methyl 4-(1-methoxycarbonylbut-3-ynyl)benzoate CAS Name: 4-(1-methoxy-1-oxopent-4-yn-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-methoxy-1-oxopent-4-yn-2-yl)benzoate Traditional Name: 4-(1-carbomethoxybut-3-ynyl)benzoic acid methyl ester Formula: C14H14O4 MolecularWeight: 246.25856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(CC#C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(CC#C)C(=O)OC

InChI

InChI=1S/C14H14O4/c1-4-5-12(14(16)18-3)10-6-8-11(9-7-10)13(15)17-2/h1,6-9,12H,5H2,2-3H3