(E)-3-(2,3,4,5-tetrahydro-1-benzoxepin-6-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2,3,4,5-tetrahydro-1-benzoxepin-6-yl)prop-2-enoic acid Openeye Name: (E)-3-(2,3,4,5-tetrahydro-1-benzoxepin-6-yl)prop-2-enoic acid CAS Name: (E)-3-(2,3,4,5-tetrahydro-1-benzoxepin-6-yl)-2-propenoic acid IUPAC Name: (E)-3-(2,3,4,5-tetrahydro-1-benzoxepin-6-yl)prop-2-enoic acid Traditional Name: (E)-3-(2,3,4,5-tetrahydro-1-benzoxepin-6-yl)acrylic acid Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC2=CC=CC(=C2C1)C=CC(=O)O

Isomeric SMILES

C1CCOC2=CC=CC(=C2C1)/C=C/C(=O)O

InChI

InChI=1S/C13H14O3/c14-13(15)8-7-10-4-3-6-12-11(10)5-1-2-9-16-12/h3-4,6-8H,1-2,5,9H2,(H,14,15)/b8-7+