(E)-4-(3,5-dimethyl-4-oxidanyl-phenyl)-1-phenoxy-but-3-en-2-one; ethanoic acid

Systemtic Name: (E)-4-(3,5-dimethyl-4-oxidanyl-phenyl)-1-phenoxy-but-3-en-2-one; ethanoic acid Openeye Name: acetic acid; (E)-4-(4-hydroxy-3,5-dimethyl-phenyl)-1-phenoxy-but-3-en-2-one CAS Name: acetic acid; (E)-4-(4-hydroxy-3,5-dimethylphenyl)-1-phenoxy-3-buten-2-one IUPAC Name: acetic acid; (E)-4-(4-hydroxy-3,5-dimethylphenyl)-1-phenoxybut-3-en-2-one Traditional Name: acetic acid; (E)-4-(4-hydroxy-3,5-dimethyl-phenyl)-1-phenoxy-but-3-en-2-one Formula: C20H22O5 MolecularWeight: 342.38568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=CC(=O)COC2=CC=CC=C2.CC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C/C(=O)COC2=CC=CC=C2.CC(=O)O

InChI

InChI=1S/C18H18O3.C2H4O2/c1-13-10-15(11-14(2)18(13)20)8-9-16(19)12-21-17-6-4-3-5-7-17;1-2(3)4/h3-11,20H,12H2,1-2H3;1H3,(H,3,4)/b9-8+;