N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]benzamide

Systemtic Name: N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]benzamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]benzamide CAS Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]benzamide IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]benzamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]benzamide Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(28)23(21-27)26-25(29)22-18-15-14-16-19-22/h14-20,23-24,27-28H,2-13,21H2,1H3,(H,26,29)/b20-17+/t23-,24+/m0/s1