(E)-3-[4-(1-oxidanylbutyl)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-(1-oxidanylbutyl)phenyl]prop-2-enoate Openeye Name: (E)-3-[4-(1-hydroxybutyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-hydroxybutyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[4-(1-hydroxybutyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(1-hydroxybutyl)phenyl]acrylate Formula: C13H15O3- MolecularWeight: 219.2564

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C=CC(=O)[O-])O

Isomeric SMILES

CCCC(C1=CC=C(C=C1)/C=C/C(=O)[O-])O

InChI

InChI=1S/C13H16O3/c1-2-3-12(14)11-7-4-10(5-8-11)6-9-13(15)16/h4-9,12,14H,2-3H2,1H3,(H,15,16)/p-1/b9-6+