4-heptyl-2-non-1-ynyl-1-(2-phenylethynyl)benzene

Systemtic Name: 4-heptyl-2-non-1-ynyl-1-(2-phenylethynyl)benzene Openeye Name: 4-heptyl-2-non-1-ynyl-1-(2-phenylethynyl)benzene CAS Name: 4-heptyl-2-non-1-ynyl-1-(2-phenylethynyl)benzene IUPAC Name: 4-heptyl-2-non-1-ynyl-1-(2-phenylethynyl)benzene Traditional Name: 4-heptyl-2-non-1-ynyl-1-(2-phenylethynyl)benzene Formula: C30H38 MolecularWeight: 398.62272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CC1=C(C=CC(=C1)CCCCCCC)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC#CC1=C(C=CC(=C1)CCCCCCC)C#CC2=CC=CC=C2

InChI

InChI=1S/C30H38/c1-3-5-7-9-10-12-17-21-30-26-28(20-14-11-8-6-4-2)23-25-29(30)24-22-27-18-15-13-16-19-27/h13,15-16,18-19,23,25-26H,3-12,14,20H2,1-2H3