methyl 3-[(E)-2-acetamido-1,5-bis(oxidanyl)icos-7-enyl]sulfonylpropanoate

Systemtic Name: methyl 3-[(E)-2-acetamido-1,5-bis(oxidanyl)icos-7-enyl]sulfonylpropanoate Openeye Name: methyl 3-[(E)-2-acetamido-1,5-dihydroxy-icos-7-enyl]sulfonylpropanoate CAS Name: 3-[(E)-2-acetamido-1,5-dihydroxyeicos-7-enyl]sulfonylpropanoic acid methyl ester IUPAC Name: methyl 3-[(E)-2-acetamido-1,5-dihydroxyicos-7-enyl]sulfonylpropanoate Traditional Name: 3-[(E)-2-acetamido-1,5-dihydroxy-eicos-7-enyl]sulfonylpropionic acid methyl ester Formula: C26H49NO7S MolecularWeight: 519.73476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CCC(CCC(C(O)S(=O)(=O)CCC(=O)OC)NC(=O)C)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/CC(CCC(C(O)S(=O)(=O)CCC(=O)OC)NC(=O)C)O

InChI

InChI=1S/C26H49NO7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(29)18-19-24(27-22(2)28)26(31)35(32,33)21-20-25(30)34-3/h15-16,23-24,26,29,31H,4-14,17-21H2,1-3H3,(H,27,28)/b16-15+