pent-1-yn-3-ol; [pent-1-yn-3-yloxy(diphenyl)methyl]benzene

Systemtic Name: pent-1-yn-3-ol; [pent-1-yn-3-yloxy(diphenyl)methyl]benzene Openeye Name: [1-ethylprop-2-ynoxy(diphenyl)methyl]benzene; pent-1-yn-3-ol CAS Name: 1-pentyn-3-ol; [pent-1-yn-3-yloxy(diphenyl)methyl]benzene IUPAC Name: pent-1-yn-3-ol; [pent-1-yn-3-yloxy(diphenyl)methyl]benzene Traditional Name: [1-ethylprop-2-ynoxy(diphenyl)methyl]benzene; pent-1-yn-3-ol Formula: C29H30O2 MolecularWeight: 410.5473

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#C)O.CCC(C#C)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C#C)O.CCC(C#C)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H22O.C5H8O/c1-3-23(4-2)25-24(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22;1-3-5(6)4-2/h1,5-19,23H,4H2,2H3;1,5-6H,4H2,2H3