(E)-4-(4-hexylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(4-hexylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-hexylphenyl)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-hexylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-hexylphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-hexylphenyl)-4-keto-but-2-enoic acid Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H20O3/c1-2-3-4-5-6-13-7-9-14(10-8-13)15(17)11-12-16(18)19/h7-12H,2-6H2,1H3,(H,18,19)/b12-11+