1,2,4,5-tetrakis[2-(4,5-didecyl-2-prop-1-ynyl-phenyl)ethynyl]benzene

Systemtic Name: 1,2,4,5-tetrakis[2-(4,5-didecyl-2-prop-1-ynyl-phenyl)ethynyl]benzene Openeye Name: 1,2,4,5-tetrakis[2-(4,5-didecyl-2-prop-1-ynyl-phenyl)ethynyl]benzene CAS Name: 1,2,4,5-tetrakis[2-(4,5-didecyl-2-prop-1-ynylphenyl)ethynyl]benzene IUPAC Name: 1,2,4,5-tetrakis[2-(4,5-didecyl-2-prop-1-ynylphenyl)ethynyl]benzene Traditional Name: 1,2,4,5-tetrakis[2-(4,5-didecyl-2-prop-1-ynyl-phenyl)ethynyl]benzene Formula: C130H190 MolecularWeight: 1752.8996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C=C(C(=C1)C#CC)C#CC2=CC(=C(C=C2C#CC3=CC(=C(C=C3C#CC)CCCCCCCCCC)CCCCCCCCCC)C#CC4=CC(=C(C=C4C#CC)CCCCCCCCCC)CCCCCCCCCC)C#CC5=CC(=C(C=C5C#CC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=C(C=C(C(=C1)C#CC)C#CC2=CC(=C(C=C2C#CC3=CC(=C(C=C3C#CC)CCCCCCCCCC)CCCCCCCCCC)C#CC4=CC(=C(C=C4C#CC)CCCCCCCCCC)CCCCCCCCCC)C#CC5=CC(=C(C=C5C#CC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C130H190/c1-13-25-33-41-49-57-65-73-85-115-101-111(81-21-9)123(105-119(115)89-77-69-61-53-45-37-29-17-5)93-97-127-109-129(99-95-125-107-121(91-79-71-63-55-47-39-31-19-7)117(103-113(125)83-23-11)87-75-67-59-51-43-35-27-15-3)130(100-96-126-108-122(92-80-72-64-56-48-40-32-20-8)118(104-114(126)84-24-12)88-76-68-60-52-44-36-28-16-4)110-128(127)98-94-124-106-120(90-78-70-62-54-46-38-30-18-6)116(102-112(124)82-22-10)86-74-66-58-50-42-34-26-14-2/h101-110H,13-20,25-80,85-92H2,1-12H3