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3-[(3,4-dimethoxyphenyl)methyl]penta-1,4-diyn-3-yl ethanoate

3-[(3,4-dimethoxyphenyl)methyl]penta-1,4-diyn-3-yl ethanoate

Systemtic Name:3-[(3,4-dimethoxyphenyl)methyl]penta-1,4-diyn-3-yl ethanoate
Openeye Name:[1-[(3,4-dimethoxyphenyl)methyl]-1-ethynyl-prop-2-ynyl] acetate
CAS Name:acetic acid 3-[(3,4-dimethoxyphenyl)methyl]penta-1,4-diyn-3-yl ester
IUPAC Name:3-[(3,4-dimethoxyphenyl)methyl]penta-1,4-diyn-3-yl acetate
Traditional Name:acetic acid (1-ethynyl-1-veratryl-prop-2-ynyl) ester
Formula: C16H16O4
MolecularWeight: 272.29584
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1=CC(=C(C=C1)OC)OC)(C#C)C#C


Isomeric SMILES

CC(=O)OC(CC1=CC(=C(C=C1)OC)OC)(C#C)C#C


InChI

InChI=1S/C16H16O4/c1-6-16(7-2,20-12(3)17)11-13-8-9-14(18-4)15(10-13)19-5/h1-2,8-10H,11H2,3-5H3


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