3-(4-butoxy-3-iodanyl-phenyl)prop-2-enoic acid

Systemtic Name: 3-(4-butoxy-3-iodanyl-phenyl)prop-2-enoic acid Openeye Name: 3-(4-butoxy-3-iodo-phenyl)prop-2-enoic acid CAS Name: 3-(4-butoxy-3-iodophenyl)-2-propenoic acid IUPAC Name: 3-(4-butoxy-3-iodophenyl)prop-2-enoic acid Traditional Name: 3-(4-butoxy-3-iodo-phenyl)acrylic acid Formula: C13H15IO3 MolecularWeight: 346.16087

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)O)I

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=CC(=O)O)I

InChI

InChI=1S/C13H15IO3/c1-2-3-8-17-12-6-4-10(9-11(12)14)5-7-13(15)16/h4-7,9H,2-3,8H2,1H3,(H,15,16)