(E)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonyl-but-3-enoic acid

Systemtic Name: (E)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonyl-but-3-enoic acid Openeye Name: (E)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonyl-but-3-enoic acid CAS Name: (E)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonyl-3-butenoic acid IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)-3-ethoxycarbonylbut-3-enoic acid Traditional Name: (E)-4-(1,3-benzodioxol-5-yl)-3-carbethoxy-but-3-enoic acid Formula: C14H14O6 MolecularWeight: 278.25736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC2=C(C=C1)OCO2)CC(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/CC(=O)O

InChI

InChI=1S/C14H14O6/c1-2-18-14(17)10(7-13(15)16)5-9-3-4-11-12(6-9)20-8-19-11/h3-6H,2,7-8H2,1H3,(H,15,16)/b10-5+