(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoic acid Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)O)OC1

InChI

InChI=1S/C12H12O4/c13-12(14)5-3-9-2-4-10-11(8-9)16-7-1-6-15-10/h2-5,8H,1,6-7H2,(H,13,14)/b5-3+