1,2-diethynyl-3-phenyl-benzene hydrate

Systemtic Name: 1,2-diethynyl-3-phenyl-benzene hydrate Openeye Name: 1,2-diethynyl-3-phenyl-benzene hydrate CAS Name: 1,2-diethynyl-3-phenylbenzene hydrate IUPAC Name: 1,2-diethynyl-3-phenylbenzene hydrate Traditional Name: 1,2-diethynyl-3-phenyl-benzene hydrate Formula: C32H22O MolecularWeight: 422.51648

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=CC=C1)C2=CC=CC=C2)C#C.C#CC1=C(C(=CC=C1)C2=CC=CC=C2)C#C.O

Isomeric SMILES

C#CC1=C(C(=CC=C1)C2=CC=CC=C2)C#C.C#CC1=C(C(=CC=C1)C2=CC=CC=C2)C#C.O

InChI

InChI=1S/2C16H10.H2O/c2*1-3-13-11-8-12-16(15(13)4-2)14-9-6-5-7-10-14;/h2*1-2,5-12H;1H2