(E)-2-acetamido-3-[4-butoxy-3,5-bis(iodanyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[4-butoxy-3,5-bis(iodanyl)phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(4-butoxy-3,5-diiodo-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(4-butoxy-3,5-diiodophenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(4-butoxy-3,5-diiodophenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(4-butoxy-3,5-diiodo-phenyl)acrylic acid Formula: C15H17I2NO4 MolecularWeight: 529.10872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1I)C=C(C(=O)O)NC(=O)C)I

Isomeric SMILES

CCCCOC1=C(C=C(C=C1I)/C=C(\C(=O)O)/NC(=O)C)I

InChI

InChI=1S/C15H17I2NO4/c1-3-4-5-22-14-11(16)6-10(7-12(14)17)8-13(15(20)21)18-9(2)19/h6-8H,3-5H2,1-2H3,(H,18,19)(H,20,21)/b13-8+