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

Systemtic Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enoate Openeye Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-butenoate IUPAC Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)but-2-enoate Formula: C13H13O4- MolecularWeight: 233.23992

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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)/p-1/b9-7+