(1S)-1-(4-chlorophenyl)-4-methyl-pent-2-yne-1,4-diol

Systemtic Name: (1S)-1-(4-chlorophenyl)-4-methyl-pent-2-yne-1,4-diol Openeye Name: (1S)-1-(4-chlorophenyl)-4-methyl-pent-2-yne-1,4-diol CAS Name: (1S)-1-(4-chlorophenyl)-4-methyl-2-pentyne-1,4-diol IUPAC Name: (1S)-1-(4-chlorophenyl)-4-methylpent-2-yne-1,4-diol Traditional Name: (1S)-1-(4-chlorophenyl)-4-methyl-pent-2-yne-1,4-diol Formula: C12H13ClO2 MolecularWeight: 224.68342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO2/c1-12(2,15)8-7-11(14)9-3-5-10(13)6-4-9/h3-6,11,14-15H,1-2H3/t11-/m1/s1