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

Systemtic Name: N-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-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]-2-hydroxybenzamide IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-2-hydroxybenzamide Traditional Name: 2-hydroxy-N-[(E,1S,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]benzamide Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)C1=CC=CC=C1O)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C1=CC=CC=C1O)O

InChI

InChI=1S/C25H41NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-24(29)22(20-27)26-25(30)21-17-15-16-18-23(21)28/h14-19,22,24,27-29H,2-13,20H2,1H3,(H,26,30)/b19-14+/t22-,24+/m0/s1