2-decoxy-4-[2-(3-decoxy-4-methyl-phenyl)ethynyl]-1-methyl-benzene

Systemtic Name: 2-decoxy-4-[2-(3-decoxy-4-methyl-phenyl)ethynyl]-1-methyl-benzene Openeye Name: 2-decoxy-4-[2-(3-decoxy-4-methyl-phenyl)ethynyl]-1-methyl-benzene CAS Name: 2-decoxy-4-[2-(3-decoxy-4-methylphenyl)ethynyl]-1-methylbenzene IUPAC Name: 2-decoxy-4-[2-(3-decoxy-4-methylphenyl)ethynyl]-1-methylbenzene Traditional Name: 2-decoxy-4-[2-(3-decoxy-4-methyl-phenyl)ethynyl]-1-methyl-benzene Formula: C36H54O2 MolecularWeight: 518.81276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=CC(=C1)C#CC2=CC(=C(C=C2)C)OCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C=CC(=C1)C#CC2=CC(=C(C=C2)C)OCCCCCCCCCC)C

InChI

InChI=1S/C36H54O2/c1-5-7-9-11-13-15-17-19-27-37-35-29-33(23-21-31(35)3)25-26-34-24-22-32(4)36(30-34)38-28-20-18-16-14-12-10-8-6-2/h21-24,29-30H,5-20,27-28H2,1-4H3