methyl 4-(4-methoxycarbonylhepta-1,6-diyn-4-yl)benzoate

Systemtic Name: methyl 4-(4-methoxycarbonylhepta-1,6-diyn-4-yl)benzoate Openeye Name: methyl 4-(1-methoxycarbonyl-1-prop-2-ynyl-but-3-ynyl)benzoate CAS Name: 4-(4-methoxycarbonylhepta-1,6-diyn-4-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methoxycarbonylhepta-1,6-diyn-4-yl)benzoate Traditional Name: 4-(1-carbomethoxy-1-propargyl-but-3-ynyl)benzoic acid methyl ester Formula: C17H16O4 MolecularWeight: 284.30654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4/c1-5-11-17(12-6-2,16(19)21-4)14-9-7-13(8-10-14)15(18)20-3/h1-2,7-10H,11-12H2,3-4H3