2-[2-ethynyl-3-(hydroxymethyl)phenyl]cyclohexa-2,4-diene-1-thione

Systemtic Name: 2-[2-ethynyl-3-(hydroxymethyl)phenyl]cyclohexa-2,4-diene-1-thione Openeye Name: 2-[2-ethynyl-3-(hydroxymethyl)phenyl]cyclohexa-2,4-diene-1-thione CAS Name: 2-[2-ethynyl-3-(hydroxymethyl)phenyl]-1-cyclohexa-2,4-dienethione IUPAC Name: 2-[2-ethynyl-3-(hydroxymethyl)phenyl]cyclohexa-2,4-diene-1-thione Traditional Name: 2-(2-ethynyl-3-methylol-phenyl)cyclohexa-2,4-diene-1-thione Formula: C15H12OS MolecularWeight: 240.32018

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC=C1CO)C2=CC=CCC2=S

Isomeric SMILES

C#CC1=C(C=CC=C1CO)C2=CC=CCC2=S

InChI

InChI=1S/C15H12OS/c1-2-12-11(10-16)6-5-8-13(12)14-7-3-4-9-15(14)17/h1,3-8,16H,9-10H2