ethyl 2-ethanoyl-3-[(E)-2-(phenylsulfonyl)ethenyl]nonanoate

Systemtic Name: ethyl 2-ethanoyl-3-[(E)-2-(phenylsulfonyl)ethenyl]nonanoate Openeye Name: ethyl 2-acetyl-3-[(E)-2-(benzenesulfonyl)vinyl]nonanoate CAS Name: 2-acetyl-3-[(E)-2-(benzenesulfonyl)ethenyl]nonanoic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-[(E)-2-(benzenesulfonyl)ethenyl]nonanoate Traditional Name: (E)-2-acetyl-5-besyl-3-hexyl-pent-4-enoic acid ethyl ester Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=CS(=O)(=O)C1=CC=CC=C1)C(C(=O)C)C(=O)OCC

Isomeric SMILES

CCCCCCC(/C=C/S(=O)(=O)C1=CC=CC=C1)C(C(=O)C)C(=O)OCC

InChI

InChI=1S/C21H30O5S/c1-4-6-7-9-12-18(20(17(3)22)21(23)26-5-2)15-16-27(24,25)19-13-10-8-11-14-19/h8,10-11,13-16,18,20H,4-7,9,12H2,1-3H3/b16-15+