4-methyl-1,1,1,6-tetraphenyl-hex-5-yn-2-one

Systemtic Name: 4-methyl-1,1,1,6-tetraphenyl-hex-5-yn-2-one Openeye Name: 4-methyl-1,1,1,6-tetraphenyl-hex-5-yn-2-one CAS Name: 4-methyl-1,1,1,6-tetraphenyl-5-hexyn-2-one IUPAC Name: 4-methyl-1,1,1,6-tetraphenylhex-5-yn-2-one Traditional Name: 4-methyl-1,1,1,6-tetraphenyl-hex-5-yn-2-one Formula: C31H26O MolecularWeight: 414.53754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C31H26O/c1-25(22-23-26-14-6-2-7-15-26)24-30(32)31(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,25H,24H2,1H3