4-octadecan-2-yl-2,5-bis(oxidanyl)benzenecarbonitrile

Systemtic Name: 4-octadecan-2-yl-2,5-bis(oxidanyl)benzenecarbonitrile Openeye Name: 2,5-dihydroxy-4-(1-methylheptadecyl)benzonitrile CAS Name: 2,5-dihydroxy-4-octadecan-2-ylbenzonitrile IUPAC Name: 2,5-dihydroxy-4-octadecan-2-ylbenzonitrile Traditional Name: 2,5-dihydroxy-4-(1-methylheptadecyl)benzonitrile Formula: C25H41NO2 MolecularWeight: 387.59854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C1=C(C=C(C(=C1)O)C#N)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C1=C(C=C(C(=C1)O)C#N)O

InChI

InChI=1S/C25H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(2)23-19-24(27)22(20-26)18-25(23)28/h18-19,21,27-28H,3-17H2,1-2H3