1-ethynyl-3,5-bis(pent-1-ynyl)benzene

Systemtic Name: 1-ethynyl-3,5-bis(pent-1-ynyl)benzene Openeye Name: 1-ethynyl-3,5-bis(pent-1-ynyl)benzene CAS Name: 1-ethynyl-3,5-bis(pent-1-ynyl)benzene IUPAC Name: 1-ethynyl-3,5-bis(pent-1-ynyl)benzene Traditional Name: 1-ethynyl-3,5-bis(pent-1-ynyl)benzene Formula: C18H18 MolecularWeight: 234.33552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC1=CC(=CC(=C1)C#C)C#CCCC

Isomeric SMILES

CCCC#CC1=CC(=CC(=C1)C#C)C#CCCC

InChI

InChI=1S/C18H18/c1-4-7-9-11-17-13-16(6-3)14-18(15-17)12-10-8-5-2/h3,13-15H,4-5,7-8H2,1-2H3