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

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enoic acid Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enoic acid CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-butenoic acid IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enoic acid Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enoic acid Formula: C13H14O4 MolecularWeight: 234.24786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C/C(=C\C(=O)O)/C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C13H14O4/c1-9(7-13(14)15)10-3-4-11-12(8-10)17-6-2-5-16-11/h3-4,7-8H,2,5-6H2,1H3,(H,14,15)/b9-7+