[2-[3-(1,3-benzodioxol-5-yl)-3-oxidanyl-prop-1-ynyl]phenyl] ethanoate

Systemtic Name: [2-[3-(1,3-benzodioxol-5-yl)-3-oxidanyl-prop-1-ynyl]phenyl] ethanoate Openeye Name: [2-[3-(1,3-benzodioxol-5-yl)-3-hydroxy-prop-1-ynyl]phenyl] acetate CAS Name: acetic acid [2-[3-(1,3-benzodioxol-5-yl)-3-hydroxyprop-1-ynyl]phenyl] ester IUPAC Name: [2-[3-(1,3-benzodioxol-5-yl)-3-hydroxyprop-1-ynyl]phenyl] acetate Traditional Name: acetic acid [2-[3-(1,3-benzodioxol-5-yl)-3-hydroxy-prop-1-ynyl]phenyl] ester Formula: C18H14O5 MolecularWeight: 310.30076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C#CC(C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C#CC(C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C18H14O5/c1-12(19)23-16-5-3-2-4-13(16)6-8-15(20)14-7-9-17-18(10-14)22-11-21-17/h2-5,7,9-10,15,20H,11H2,1H3