1-ethynyl-3-[4-[3-ethynyl-5-(octoxymethyl)phenyl]buta-1,3-diynyl]-5-(octoxymethyl)benzene

Systemtic Name: 1-ethynyl-3-[4-[3-ethynyl-5-(octoxymethyl)phenyl]buta-1,3-diynyl]-5-(octoxymethyl)benzene Openeye Name: 1-ethynyl-3-[4-[3-ethynyl-5-(octoxymethyl)phenyl]buta-1,3-diynyl]-5-(octoxymethyl)benzene CAS Name: 1-ethynyl-3-[4-[3-ethynyl-5-(octoxymethyl)phenyl]buta-1,3-diynyl]-5-(octoxymethyl)benzene IUPAC Name: 1-ethynyl-3-[4-[3-ethynyl-5-(octoxymethyl)phenyl]buta-1,3-diynyl]-5-(octoxymethyl)benzene Traditional Name: 1-ethynyl-3-[4-[3-ethynyl-5-(octoxymethyl)phenyl]buta-1,3-diynyl]-5-(octoxymethyl)benzene Formula: C38H46O2 MolecularWeight: 534.77064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCC1=CC(=CC(=C1)C#CC#CC2=CC(=CC(=C2)C#C)COCCCCCCCC)C#C

Isomeric SMILES

CCCCCCCCOCC1=CC(=CC(=C1)C#CC#CC2=CC(=CC(=C2)C#C)COCCCCCCCC)C#C

InChI

InChI=1S/C38H46O2/c1-5-9-11-13-15-19-23-39-31-37-27-33(7-3)25-35(29-37)21-17-18-22-36-26-34(8-4)28-38(30-36)32-40-24-20-16-14-12-10-6-2/h3-4,25-30H,5-6,9-16,19-20,23-24,31-32H2,1-2H3