bicyclo[2.2.0]hexa-1(4),2,5-triene; 1,3,5,7-tetrakis(2-ethynylphenyl)adamantane

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1,3,5,7-tetrakis(2-ethynylphenyl)adamantane Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1,3,5,7-tetrakis(2-ethynylphenyl)adamantane CAS Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1,3,5,7-tetrakis(2-ethynylphenyl)adamantane IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1,3,5,7-tetrakis(2-ethynylphenyl)adamantane Traditional Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; 1,3,5,7-tetrakis(2-ethynylphenyl)adamantane Formula: C48H36 MolecularWeight: 612.79944

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1C23CC4(CC(C2)(CC(C3)(C4)C5=CC=CC=C5C#C)C6=CC=CC=C6C#C)C7=CC=CC=C7C#C.C1=CC2=C1C=C2

Isomeric SMILES

C#CC1=CC=CC=C1C23CC4(CC(C2)(CC(C3)(C4)C5=CC=CC=C5C#C)C6=CC=CC=C6C#C)C7=CC=CC=C7C#C.C1=CC2=C1C=C2

InChI

InChI=1S/C42H32.C6H4/c1-5-31-17-9-13-21-35(31)39-25-40(36-22-14-10-18-32(36)6-2)28-41(26-39,37-23-15-11-19-33(37)7-3)30-42(27-39,29-40)38-24-16-12-20-34(38)8-4;1-2-6-4-3-5(1)6/h1-4,9-24H,25-30H2;1-4H