(E)-7-(1,3-benzodioxol-5-yl)hept-2-enoic acid

Systemtic Name: (E)-7-(1,3-benzodioxol-5-yl)hept-2-enoic acid Openeye Name: (E)-7-(1,3-benzodioxol-5-yl)hept-2-enoic acid CAS Name: (E)-7-(1,3-benzodioxol-5-yl)-2-heptenoic acid IUPAC Name: (E)-7-(1,3-benzodioxol-5-yl)hept-2-enoic acid Traditional Name: (E)-7-(1,3-benzodioxol-5-yl)hept-2-enoic acid Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCCCC=CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCCC/C=C/C(=O)O

InChI

InChI=1S/C14H16O4/c15-14(16)6-4-2-1-3-5-11-7-8-12-13(9-11)18-10-17-12/h4,6-9H,1-3,5,10H2,(H,15,16)/b6-4+