(E)-3-[1,5-bis(oxidanylidene)-3,4-dihydro-2-benzoxepin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1,5-bis(oxidanylidene)-3,4-dihydro-2-benzoxepin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-(1,5-dioxo-3,4-dihydro-2-benzoxepin-3-yl)prop-2-enoic acid CAS Name: (E)-3-(1,5-dioxo-3,4-dihydro-2-benzoxepin-3-yl)-2-propenoic acid IUPAC Name: (E)-3-(1,5-dioxo-3,4-dihydro-2-benzoxepin-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(1,5-diketo-3,4-dihydro-2-benzoxepin-3-yl)acrylic acid Formula: C13H10O5 MolecularWeight: 246.2155

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C2C1=O)C=CC(=O)O

Isomeric SMILES

C1C(OC(=O)C2=CC=CC=C2C1=O)/C=C/C(=O)O

InChI

InChI=1S/C13H10O5/c14-11-7-8(5-6-12(15)16)18-13(17)10-4-2-1-3-9(10)11/h1-6,8H,7H2,(H,15,16)/b6-5+