1-ethynyl-4-(4-ethynylphenyl)benzene hydrate

Systemtic Name: 1-ethynyl-4-(4-ethynylphenyl)benzene hydrate Openeye Name: 1-ethynyl-4-(4-ethynylphenyl)benzene hydrate CAS Name: 1-ethynyl-4-(4-ethynylphenyl)benzene hydrate IUPAC Name: 1-ethynyl-4-(4-ethynylphenyl)benzene hydrate Traditional Name: 1-ethynyl-4-(4-ethynylphenyl)benzene hydrate Formula: C32H22O MolecularWeight: 422.51648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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