5-nonyl-2-oxidanyl-6-phenyl-cyclohexa-2,4-diene-1-thione

Systemtic Name: 5-nonyl-2-oxidanyl-6-phenyl-cyclohexa-2,4-diene-1-thione Openeye Name: 2-hydroxy-5-nonyl-6-phenyl-cyclohexa-2,4-diene-1-thione CAS Name: 2-hydroxy-5-nonyl-6-phenyl-1-cyclohexa-2,4-dienethione IUPAC Name: 2-hydroxy-5-nonyl-6-phenylcyclohexa-2,4-diene-1-thione Traditional Name: 2-hydroxy-5-nonyl-6-phenyl-cyclohexa-2,4-diene-1-thione Formula: C21H28OS MolecularWeight: 328.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C(=S)C1C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C(=S)C1C2=CC=CC=C2)O

InChI

InChI=1S/C21H28OS/c1-2-3-4-5-6-7-9-14-18-15-16-19(22)21(23)20(18)17-12-10-8-11-13-17/h8,10-13,15-16,20,22H,2-7,9,14H2,1H3