[(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 8-methylsulfonyl-12-oxidanyl-heptadecanoate

Systemtic Name: [(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 8-methylsulfonyl-12-oxidanyl-heptadecanoate Openeye Name: [(E)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 12-hydroxy-8-methylsulfonyl-heptadecanoate CAS Name: 12-hydroxy-8-methylsulfonylheptadecanoic acid [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] ester IUPAC Name: [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] 12-hydroxy-8-methylsulfonylheptadecanoate Traditional Name: 12-hydroxy-8-mesyl-heptadecanoic acid [(E)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C26H49NO6S MolecularWeight: 503.73536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)OC(=CC(=O)NC(C)(C)C)C)S(=O)(=O)C)O

Isomeric SMILES

CCCCCC(CCCC(CCCCCCC(=O)O/C(=C/C(=O)NC(C)(C)C)/C)S(=O)(=O)C)O

InChI

InChI=1S/C26H49NO6S/c1-7-8-11-15-22(28)16-14-18-23(34(6,31)32)17-12-9-10-13-19-25(30)33-21(2)20-24(29)27-26(3,4)5/h20,22-23,28H,7-19H2,1-6H3,(H,27,29)/b21-20+