(E)-3-(4-butyl-6-oxidanylidene-2,3-dihydropyran-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-butyl-6-oxidanylidene-2,3-dihydropyran-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-butyl-6-oxo-2,3-dihydropyran-5-yl)prop-2-enoic acid CAS Name: (E)-3-(4-butyl-6-oxo-2,3-dihydropyran-5-yl)-2-propenoic acid IUPAC Name: (E)-3-(4-butyl-6-oxo-2,3-dihydropyran-5-yl)prop-2-enoic acid Traditional Name: (E)-3-(4-butyl-6-keto-2,3-dihydropyran-5-yl)acrylic acid Formula: C12H16O4 MolecularWeight: 224.25304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)OCC1)C=CC(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)OCC1)/C=C/C(=O)O

InChI

InChI=1S/C12H16O4/c1-2-3-4-9-7-8-16-12(15)10(9)5-6-11(13)14/h5-6H,2-4,7-8H2,1H3,(H,13,14)/b6-5+