(E)-3-(2-oxidanyl-7-oxidanylidene-oxepan-2-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-oxidanyl-7-oxidanylidene-oxepan-2-yl)prop-2-enoic acid Openeye Name: (E)-3-(2-hydroxy-7-oxo-oxepan-2-yl)prop-2-enoic acid CAS Name: (E)-3-(2-hydroxy-7-oxo-2-oxepanyl)-2-propenoic acid IUPAC Name: (E)-3-(2-hydroxy-7-oxooxepan-2-yl)prop-2-enoic acid Traditional Name: (E)-3-(2-hydroxy-7-keto-oxepan-2-yl)acrylic acid Formula: C9H12O5 MolecularWeight: 200.18858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(OC(=O)C1)(C=CC(=O)O)O

Isomeric SMILES

C1CCC(OC(=O)C1)(/C=C/C(=O)O)O

InChI

InChI=1S/C9H12O5/c10-7(11)4-6-9(13)5-2-1-3-8(12)14-9/h4,6,13H,1-3,5H2,(H,10,11)/b6-4+