methyl 4-(1,3-benzodioxol-5-yl)-4-oxidanyl-but-2-ynoate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-4-oxidanyl-but-2-ynoate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-4-hydroxy-but-2-ynoate CAS Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-2-butynoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-4-hydroxybut-2-ynoate Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-but-2-ynoic acid methyl ester Formula: C12H10O5 MolecularWeight: 234.2048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CC(C1=CC2=C(C=C1)OCO2)O

Isomeric SMILES

COC(=O)C#CC(C1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C12H10O5/c1-15-12(14)5-3-9(13)8-2-4-10-11(6-8)17-7-16-10/h2,4,6,9,13H,7H2,1H3