(E)-4-(4-butylphenyl)-2-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(4-butylphenyl)-2-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-butylphenyl)-2-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-butylphenyl)-2-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-butylphenyl)-2-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-butylphenyl)-4-keto-2-methyl-but-2-enoic acid Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)C=C(C)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)/C=C(\C)/C(=O)O

InChI

InChI=1S/C15H18O3/c1-3-4-5-12-6-8-13(9-7-12)14(16)10-11(2)15(17)18/h6-10H,3-5H2,1-2H3,(H,17,18)/b11-10+