ethyl (2E)-2-[(4-octylphenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[(4-octylphenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[(4-octylphenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(4-octylphenyl)methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(4-octylphenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(4-octylphenyl)acrylic acid ethyl ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C=C(C(=O)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)/C=C(\C(=O)C)/C(=O)OCC

InChI

InChI=1S/C21H30O3/c1-4-6-7-8-9-10-11-18-12-14-19(15-13-18)16-20(17(3)22)21(23)24-5-2/h12-16H,4-11H2,1-3H3/b20-16+