[(E)-4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-but-3-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [(E)-4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-but-3-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-but-3-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] ester IUPAC Name: [(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [(E)-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-but-3-enyl] ester Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C21H18O7/c1-25-19-10-14(3-7-17(19)23)2-6-16(22)12-26-21(24)9-5-15-4-8-18-20(11-15)28-13-27-18/h2-11,23H,12-13H2,1H3/b6-2+,9-5+