[4-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethyl)-2-oxidanyl-but-3-ynyl] ethanoate

Systemtic Name: [4-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethyl)-2-oxidanyl-but-3-ynyl] ethanoate Openeye Name: [4-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-but-3-ynyl] acetate CAS Name: acetic acid [4-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethyl)-2-hydroxybut-3-ynyl] ester IUPAC Name: [4-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethyl)-2-hydroxybut-3-ynyl] acetate Traditional Name: acetic acid [4-(1,3-benzodioxol-5-yl)-2-hydroxy-2-piperonyl-but-3-ynyl] ester Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CC1=CC2=C(C=C1)OCO2)(C#CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(=O)OCC(CC1=CC2=C(C=C1)OCO2)(C#CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H18O7/c1-14(22)24-11-21(23,10-16-3-5-18-20(9-16)28-13-26-18)7-6-15-2-4-17-19(8-15)27-12-25-17/h2-5,8-9,23H,10-13H2,1H3