ethyl (Z)-6-[(2Z)-3,7-dimethylocta-2,6-dienyl]sulfonyl-2-ethanoyl-5-methyl-hex-4-enoate

Systemtic Name: ethyl (Z)-6-[(2Z)-3,7-dimethylocta-2,6-dienyl]sulfonyl-2-ethanoyl-5-methyl-hex-4-enoate Openeye Name: ethyl (Z)-2-acetyl-6-[(2Z)-3,7-dimethylocta-2,6-dienyl]sulfonyl-5-methyl-hex-4-enoate CAS Name: (Z)-2-acetyl-6-[(2Z)-3,7-dimethylocta-2,6-dienyl]sulfonyl-5-methyl-4-hexenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-acetyl-6-[(2Z)-3,7-dimethylocta-2,6-dienyl]sulfonyl-5-methylhex-4-enoate Traditional Name: (Z)-2-acetyl-6-[(2Z)-3,7-dimethylocta-2,6-dienyl]sulfonyl-5-methyl-hex-4-enoic acid ethyl ester Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C(C)CS(=O)(=O)CC=C(C)CCC=C(C)C)C(=O)C

Isomeric SMILES

CCOC(=O)C(C/C=C(/C)\CS(=O)(=O)C/C=C(/C)\CCC=C(C)C)C(=O)C

InChI

InChI=1S/C21H34O5S/c1-7-26-21(23)20(19(6)22)12-11-18(5)15-27(24,25)14-13-17(4)10-8-9-16(2)3/h9,11,13,20H,7-8,10,12,14-15H2,1-6H3/b17-13-,18-11-