(E,3S)-1-(phenylsulfonyl)hept-1-en-6-yn-3-ol

Systemtic Name: (E,3S)-1-(phenylsulfonyl)hept-1-en-6-yn-3-ol Openeye Name: (E,3S)-1-(benzenesulfonyl)hept-1-en-6-yn-3-ol CAS Name: (E,3S)-1-(benzenesulfonyl)-3-hept-1-en-6-ynol IUPAC Name: (E,3S)-1-(benzenesulfonyl)hept-1-en-6-yn-3-ol Traditional Name: (E,3S)-1-besylhept-1-en-6-yn-3-ol Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3S/c1-2-3-7-12(14)10-11-17(15,16)13-8-5-4-6-9-13/h1,4-6,8-12,14H,3,7H2/b11-10+/t12-/m0/s1