2-ethylsulfanyl-1-(5-methyl-2-oxidanyl-phenyl)dodecan-1-one

Systemtic Name: 2-ethylsulfanyl-1-(5-methyl-2-oxidanyl-phenyl)dodecan-1-one Openeye Name: 2-ethylsulfanyl-1-(2-hydroxy-5-methyl-phenyl)dodecan-1-one CAS Name: 2-(ethylthio)-1-(2-hydroxy-5-methylphenyl)-1-dodecanone IUPAC Name: 2-ethylsulfanyl-1-(2-hydroxy-5-methylphenyl)dodecan-1-one Traditional Name: 2-(ethylthio)-1-(2-hydroxy-5-methyl-phenyl)dodecan-1-one Formula: C21H34O2S MolecularWeight: 350.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)C1=C(C=CC(=C1)C)O)SCC

Isomeric SMILES

CCCCCCCCCCC(C(=O)C1=C(C=CC(=C1)C)O)SCC

InChI

InChI=1S/C21H34O2S/c1-4-6-7-8-9-10-11-12-13-20(24-5-2)21(23)18-16-17(3)14-15-19(18)22/h14-16,20,22H,4-13H2,1-3H3