(E)-3-[3-(1,3-benzodioxol-5-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(1,3-benzodioxol-5-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1,3-benzodioxol-5-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(1,3-benzodioxol-5-yl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1,3-benzodioxol-5-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(1,3-benzodioxol-5-yl)phenyl]acrylic acid Formula: C16H12O4 MolecularWeight: 268.26408

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=CC=C3)C=CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=CC=C3)/C=C/C(=O)O

InChI

InChI=1S/C16H12O4/c17-16(18)7-4-11-2-1-3-12(8-11)13-5-6-14-15(9-13)20-10-19-14/h1-9H,10H2,(H,17,18)/b7-4+