13-[2,4-bis(azanyl)-5-(13-oxidanylpentacosan-13-yl)phenyl]pentacosan-13-ol

Systemtic Name: 13-[2,4-bis(azanyl)-5-(13-oxidanylpentacosan-13-yl)phenyl]pentacosan-13-ol Openeye Name: 13-[2,4-diamino-5-(1-dodecyl-1-hydroxy-tridecyl)phenyl]pentacosan-13-ol CAS Name: 13-[2,4-diamino-5-(13-hydroxypentacosan-13-yl)phenyl]-13-pentacosanol IUPAC Name: 13-[2,4-diamino-5-(13-hydroxypentacosan-13-yl)phenyl]pentacosan-13-ol Traditional Name: 13-[2,4-diamino-5-(1-hydroxy-1-lauryl-tridecyl)phenyl]pentacosan-13-ol Formula: C56H108N2O2 MolecularWeight: 841.46892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C1=CC(=C(C=C1N)N)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCCCCCCC)(C1=CC(=C(C=C1N)N)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)O)O

InChI

InChI=1S/C56H108N2O2/c1-5-9-13-17-21-25-29-33-37-41-45-55(59,46-42-38-34-30-26-22-18-14-10-6-2)51-49-52(54(58)50-53(51)57)56(60,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h49-50,59-60H,5-48,57-58H2,1-4H3