[(3S,4S,5R)-4,5-bis(oxidanyl)-1,5-diphenyl-pent-1-yn-3-yl] benzoate

Systemtic Name: [(3S,4S,5R)-4,5-bis(oxidanyl)-1,5-diphenyl-pent-1-yn-3-yl] benzoate Openeye Name: [(1S)-1-[(1S,2R)-1,2-dihydroxy-2-phenyl-ethyl]-3-phenyl-prop-2-ynyl] benzoate CAS Name: benzoic acid [(3S,4S,5R)-4,5-dihydroxy-1,5-diphenylpent-1-yn-3-yl] ester IUPAC Name: [(3S,4S,5R)-4,5-dihydroxy-1,5-diphenylpent-1-yn-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1S,2R)-1,2-dihydroxy-2-phenyl-ethyl]-3-phenyl-prop-2-ynyl] ester Formula: C24H20O4 MolecularWeight: 372.4132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C#C[C@@H]([C@H]([C@@H](C2=CC=CC=C2)O)O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H20O4/c25-22(19-12-6-2-7-13-19)23(26)21(17-16-18-10-4-1-5-11-18)28-24(27)20-14-8-3-9-15-20/h1-15,21-23,25-26H/t21-,22+,23+/m0/s1