4-[(4-dodecoxyphenyl)methyl]-5-methoxy-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[(4-dodecoxyphenyl)methyl]-5-methoxy-benzene-1,2-dicarbonitrile Openeye Name: 4-[(4-dodecoxyphenyl)methyl]-5-methoxy-phthalonitrile CAS Name: 4-[(4-dodecoxyphenyl)methyl]-5-methoxybenzene-1,2-dicarbonitrile IUPAC Name: 4-[(4-dodecoxyphenyl)methyl]-5-methoxybenzene-1,2-dicarbonitrile Traditional Name: 4-(4-lauryloxybenzyl)-5-methoxy-phthalonitrile Formula: C28H36N2O2 MolecularWeight: 432.59764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CC2=C(C=C(C(=C2)C#N)C#N)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CC2=C(C=C(C(=C2)C#N)C#N)OC

InChI

InChI=1S/C28H36N2O2/c1-3-4-5-6-7-8-9-10-11-12-17-32-27-15-13-23(14-16-27)18-24-19-25(21-29)26(22-30)20-28(24)31-2/h13-16,19-20H,3-12,17-18H2,1-2H3