(9E,12E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadeca-9,12-dienethioamide

Systemtic Name: (9E,12E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]octadeca-9,12-dienethioamide Openeye Name: (9E,12E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]octadeca-9,12-dienethioamide CAS Name: (9E,12E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12-dienethioamide IUPAC Name: (9E,12E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadeca-9,12-dienethioamide Traditional Name: (9E,12E)-N-vanillyloctadeca-9,12-dienethioamide Formula: C26H41NO2S MolecularWeight: 431.67424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=S)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=S)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C26H41NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(30)27-22-23-19-20-24(28)25(21-23)29-2/h7-8,10-11,19-21,28H,3-6,9,12-18,22H2,1-2H3,(H,27,30)/b8-7+,11-10+