(3S,4S)-1-phenyloct-7-en-1-yne-3,4-diol

Systemtic Name: (3S,4S)-1-phenyloct-7-en-1-yne-3,4-diol Openeye Name: (3S,4S)-1-phenyloct-7-en-1-yne-3,4-diol CAS Name: (3S,4S)-1-phenyloct-7-en-1-yne-3,4-diol IUPAC Name: (3S,4S)-1-phenyloct-7-en-1-yne-3,4-diol Traditional Name: (3S,4S)-1-phenyloct-7-en-1-yne-3,4-diol Formula: C14H16O2 MolecularWeight: 216.27564

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(C(C#CC1=CC=CC=C1)O)O

Isomeric SMILES

C=CCC[C@@H]([C@H](C#CC1=CC=CC=C1)O)O

InChI

InChI=1S/C14H16O2/c1-2-3-9-13(15)14(16)11-10-12-7-5-4-6-8-12/h2,4-8,13-16H,1,3,9H2/t13-,14-/m0/s1