2-[5-[6-(cyanomethyl)-2-dodecoxy-naphthalen-1-yl]-6-dodecoxy-naphthalen-2-yl]ethanenitrile

Systemtic Name: 2-[5-[6-(cyanomethyl)-2-dodecoxy-naphthalen-1-yl]-6-dodecoxy-naphthalen-2-yl]ethanenitrile Openeye Name: 2-[5-[6-(cyanomethyl)-2-dodecoxy-1-naphthyl]-6-dodecoxy-2-naphthyl]acetonitrile CAS Name: 2-[5-[6-(cyanomethyl)-2-dodecoxy-1-naphthalenyl]-6-dodecoxy-2-naphthalenyl]acetonitrile IUPAC Name: 2-[5-[6-(cyanomethyl)-2-dodecoxynaphthalen-1-yl]-6-dodecoxynaphthalen-2-yl]acetonitrile Traditional Name: 2-[5-[6-(cyanomethyl)-2-lauryloxy-1-naphthyl]-6-lauryloxy-2-naphthyl]acetonitrile Formula: C48H64N2O2 MolecularWeight: 701.03396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C2=C(C=C1)C=C(C=C2)CC#N)C3=C(C=CC4=C3C=CC(=C4)CC#N)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C2=C(C=C1)C=C(C=C2)CC#N)C3=C(C=CC4=C3C=CC(=C4)CC#N)OCCCCCCCCCCCC

InChI

InChI=1S/C48H64N2O2/c1-3-5-7-9-11-13-15-17-19-21-35-51-45-29-25-41-37-39(31-33-49)23-27-43(41)47(45)48-44-28-24-40(32-34-50)38-42(44)26-30-46(48)52-36-22-20-18-16-14-12-10-8-6-4-2/h23-30,37-38H,3-22,31-32,35-36H2,1-2H3