(E)-3-(6-methoxycarbonyl-7-phenylmethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6-methoxycarbonyl-7-phenylmethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(7-benzyloxy-6-methoxycarbonyl-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-3-(6-methoxycarbonyl-7-phenylmethoxy-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-3-(6-methoxycarbonyl-7-phenylmethoxy-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(7-benzoxy-6-carbomethoxy-1,3-benzodioxol-5-yl)acrylic acid Formula: C19H16O7 MolecularWeight: 356.32614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=C1C=CC(=O)O)OCO2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=C(C=C1/C=C/C(=O)O)OCO2)OCC3=CC=CC=C3

InChI

InChI=1S/C19H16O7/c1-23-19(22)16-13(7-8-15(20)21)9-14-17(26-11-25-14)18(16)24-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,20,21)/b8-7+