(E)-8,8-dimethyl-2-[(E)-6-(3-thiophen-3-ylphenoxy)hex-1-enyl]non-4-en-6-ynenitrile

Systemtic Name: (E)-8,8-dimethyl-2-[(E)-6-(3-thiophen-3-ylphenoxy)hex-1-enyl]non-4-en-6-ynenitrile Openeye Name: (E)-8,8-dimethyl-2-[(E)-6-[3-(3-thienyl)phenoxy]hex-1-enyl]non-4-en-6-ynenitrile CAS Name: (E)-8,8-dimethyl-2-[(E)-6-[3-(3-thiophenyl)phenoxy]hex-1-enyl]non-4-en-6-ynenitrile IUPAC Name: (E)-8,8-dimethyl-2-[(E)-6-(3-thiophen-3-ylphenoxy)hex-1-enyl]non-4-en-6-ynenitrile Traditional Name: (E)-8,8-dimethyl-2-[(E)-6-[3-(3-thienyl)phenoxy]hex-1-enyl]non-4-en-6-ynenitrile Formula: C27H31NOS MolecularWeight: 417.60614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC=CCC(C=CCCCCOC1=CC=CC(=C1)C2=CSC=C2)C#N

Isomeric SMILES

CC(C)(C)C#C/C=C/CC(/C=C/CCCCOC1=CC=CC(=C1)C2=CSC=C2)C#N

InChI

InChI=1S/C27H31NOS/c1-27(2,3)17-9-6-8-13-23(21-28)12-7-4-5-10-18-29-26-15-11-14-24(20-26)25-16-19-30-22-25/h6-8,11-12,14-16,19-20,22-23H,4-5,10,13,18H2,1-3H3/b8-6+,12-7+