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icosyl 6,7-dicyanonaphthalene-2-carboxylate

icosyl 6,7-dicyanonaphthalene-2-carboxylate

Systemtic Name:icosyl 6,7-dicyanonaphthalene-2-carboxylate
Openeye Name:icosyl 6,7-dicyanonaphthalene-2-carboxylate
CAS Name:6,7-dicyano-2-naphthalenecarboxylic acid eicosyl ester
IUPAC Name:icosyl 6,7-dicyanonaphthalene-2-carboxylate
Traditional Name:6,7-dicyanonaphthalene-2-carboxylic acid arachyl ester
Formula: C33H46N2O2
MolecularWeight: 502.73054
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C=C(C(=C2)C#N)C#N


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)C=C(C(=C2)C#N)C#N


InChI

InChI=1S/C33H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37-33(36)29-21-20-28-23-31(26-34)32(27-35)25-30(28)24-29/h20-21,23-25H,2-19,22H2,1H3


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