(E,5S,6S)-6-chloranyl-1-phenyl-tetradec-1-en-3-yn-5-ol

Systemtic Name: (E,5S,6S)-6-chloranyl-1-phenyl-tetradec-1-en-3-yn-5-ol Openeye Name: (E,5S,6S)-6-chloro-1-phenyl-tetradec-1-en-3-yn-5-ol CAS Name: (E,5S,6S)-6-chloro-1-phenyl-5-tetradec-1-en-3-ynol IUPAC Name: (E,5S,6S)-6-chloro-1-phenyltetradec-1-en-3-yn-5-ol Traditional Name: (E,5S,6S)-6-chloro-1-phenyl-tetradec-1-en-3-yn-5-ol Formula: C20H27ClO MolecularWeight: 318.88078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(C#CC=CC1=CC=CC=C1)O)Cl

Isomeric SMILES

CCCCCCCC[C@@H]([C@H](C#C/C=C/C1=CC=CC=C1)O)Cl

InChI

InChI=1S/C20H27ClO/c1-2-3-4-5-6-10-16-19(21)20(22)17-12-11-15-18-13-8-7-9-14-18/h7-9,11,13-15,19-20,22H,2-6,10,16H2,1H3/b15-11+/t19-,20-/m0/s1