ethyl 3-(1,3-benzodioxol-5-yl)prop-2-ynoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)prop-2-ynoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)prop-2-ynoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-propynoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)prop-2-ynoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propiolic acid ethyl ester Formula: C12H10O4 MolecularWeight: 218.2054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)C#CC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H10O4/c1-2-14-12(13)6-4-9-3-5-10-11(7-9)16-8-15-10/h3,5,7H,2,8H2,1H3