(E)-4-(4-butan-2-ylphenoxy)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(4-butan-2-ylphenoxy)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-oxo-4-(4-sec-butylphenoxy)but-2-enoic acid CAS Name: (E)-4-(4-butan-2-ylphenoxy)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-butan-2-ylphenoxy)-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-(4-sec-butylphenoxy)but-2-enoic acid Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC(=O)C=CC(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H16O4/c1-3-10(2)11-4-6-12(7-5-11)18-14(17)9-8-13(15)16/h4-10H,3H2,1-2H3,(H,15,16)/b9-8+