2-(4-ethylpiperazin-1-yl)ethylsulfonyl (9Z,12Z)-octadeca-9,12-dieneperoxoate

Systemtic Name: 2-(4-ethylpiperazin-1-yl)ethylsulfonyl (9Z,12Z)-octadeca-9,12-dieneperoxoate Openeye Name: 2-(4-ethylpiperazin-1-yl)ethylsulfonyl (9Z,12Z)-octadeca-9,12-dieneperoxoate CAS Name: (9Z,12Z)-octadeca-9,12-dieneperoxoic acid 2-(4-ethyl-1-piperazinyl)ethylsulfonyl ester IUPAC Name: 2-(4-ethylpiperazin-1-yl)ethylsulfonyl (9Z,12Z)-octadeca-9,12-dieneperoxoate Traditional Name: (9Z,12Z)-octadeca-9,12-dieneperoxoic acid 2-(4-ethylpiperazino)ethylsulfonyl ester Formula: C26H48N2O5S MolecularWeight: 500.73472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OOS(=O)(=O)CCN1CCN(CC1)CC

Isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OOS(=O)(=O)CCN1CCN(CC1)CC

InChI

InChI=1S/C26H48N2O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)32-33-34(30,31)25-24-28-22-20-27(4-2)21-23-28/h8-9,11-12H,3-7,10,13-25H2,1-2H3/b9-8-,12-11-