N-[[3,4-bis(oxidanyl)phenyl]methyl]octadec-9-ynamide

Systemtic Name: N-[[3,4-bis(oxidanyl)phenyl]methyl]octadec-9-ynamide Openeye Name: N-[(3,4-dihydroxyphenyl)methyl]octadec-9-ynamide CAS Name: N-[(3,4-dihydroxyphenyl)methyl]-9-octadecynamide IUPAC Name: N-[(3,4-dihydroxyphenyl)methyl]octadec-9-ynamide Traditional Name: N-protocatechuyloctadec-9-ynamide Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)O

Isomeric SMILES

CCCCCCCCC#CCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C25H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)26-21-22-18-19-23(27)24(28)20-22/h18-20,27-28H,2-8,11-17,21H2,1H3,(H,26,29)