2-(2,5-dihexoxy-3-methanoyl-phenyl)ethanenitrile

Systemtic Name: 2-(2,5-dihexoxy-3-methanoyl-phenyl)ethanenitrile Openeye Name: 2-(3-formyl-2,5-dihexoxy-phenyl)acetonitrile CAS Name: 2-(3-formyl-2,5-dihexoxyphenyl)acetonitrile IUPAC Name: 2-(3-formyl-2,5-dihexoxyphenyl)acetonitrile Traditional Name: 2-(3-formyl-2,5-dihexoxy-phenyl)acetonitrile Formula: C21H31NO3 MolecularWeight: 345.47574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C(=C1)C=O)OCCCCCC)CC#N

Isomeric SMILES

CCCCCCOC1=CC(=C(C(=C1)C=O)OCCCCCC)CC#N

InChI

InChI=1S/C21H31NO3/c1-3-5-7-9-13-24-20-15-18(11-12-22)21(19(16-20)17-23)25-14-10-8-6-4-2/h15-17H,3-11,13-14H2,1-2H3