(E)-3-(4-oxidanylhepta-1,6-dien-4-yl)pent-2-enedioic acid

Systemtic Name: (E)-3-(4-oxidanylhepta-1,6-dien-4-yl)pent-2-enedioic acid Openeye Name: (E)-3-(1-allyl-1-hydroxy-but-3-enyl)pent-2-enedioic acid CAS Name: (E)-3-(4-hydroxyhepta-1,6-dien-4-yl)-2-pentenedioic acid IUPAC Name: (E)-3-(4-hydroxyhepta-1,6-dien-4-yl)pent-2-enedioic acid Traditional Name: (E)-3-(1-allyl-1-hydroxy-but-3-enyl)pent-2-enedioic acid Formula: C12H16O5 MolecularWeight: 240.25244

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(C(=CC(=O)O)CC(=O)O)O

Isomeric SMILES

C=CCC(CC=C)(/C(=C/C(=O)O)/CC(=O)O)O

InChI

InChI=1S/C12H16O5/c1-3-5-12(17,6-4-2)9(7-10(13)14)8-11(15)16/h3-4,7,17H,1-2,5-6,8H2,(H,13,14)(H,15,16)/b9-7+