[4-[1-acetyloxy-3-(1,3-benzodioxol-5-ylmethyl)-2-methylidene-but-3-enyl]-3-oxidanyl-phenyl] ethanoate

Systemtic Name: [4-[1-acetyloxy-3-(1,3-benzodioxol-5-ylmethyl)-2-methylidene-but-3-enyl]-3-oxidanyl-phenyl] ethanoate Openeye Name: [4-[1-acetoxy-3-(1,3-benzodioxol-5-ylmethyl)-2-methylene-but-3-enyl]-3-hydroxy-phenyl] acetate CAS Name: acetic acid [4-[1-acetyloxy-3-(1,3-benzodioxol-5-ylmethyl)-2-methylenebut-3-enyl]-3-hydroxyphenyl] ester IUPAC Name: [4-[1-acetyloxy-3-(1,3-benzodioxol-5-ylmethyl)-2-methylidenebut-3-enyl]-3-hydroxyphenyl] acetate Traditional Name: acetic acid [4-(1-acetoxy-2-methylene-3-piperonyl-but-3-enyl)-3-hydroxy-phenyl] ester Formula: C23H22O7 MolecularWeight: 410.41658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)C(C(=C)C(=C)CC2=CC3=C(C=C2)OCO3)OC(=O)C)O

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)C(C(=C)C(=C)CC2=CC3=C(C=C2)OCO3)OC(=O)C)O

InChI

InChI=1S/C23H22O7/c1-13(9-17-5-8-21-22(10-17)28-12-27-21)14(2)23(30-16(4)25)19-7-6-18(11-20(19)26)29-15(3)24/h5-8,10-11,23,26H,1-2,9,12H2,3-4H3