(E)-3-[2-(5-oxidanylidenehexyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(5-oxidanylidenehexyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(5-oxohexyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(5-oxohexyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(5-oxohexyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(5-ketohexyl)phenyl]acrylic acid Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCC1=CC=CC=C1C=CC(=O)O

Isomeric SMILES

CC(=O)CCCCC1=CC=CC=C1/C=C/C(=O)O

InChI

InChI=1S/C15H18O3/c1-12(16)6-2-3-7-13-8-4-5-9-14(13)10-11-15(17)18/h4-5,8-11H,2-3,6-7H2,1H3,(H,17,18)/b11-10+