2-[5-[2-(4-methylpentyl)phenyl]sulfanylpentyl]oxane

Systemtic Name: 2-[5-[2-(4-methylpentyl)phenyl]sulfanylpentyl]oxane Openeye Name: 2-[5-(2-isohexylphenyl)sulfanylpentyl]tetrahydropyran CAS Name: 2-[5-[[2-(4-methylpentyl)phenyl]thio]pentyl]oxane IUPAC Name: 2-[5-[2-(4-methylpentyl)phenyl]sulfanylpentyl]oxane Traditional Name: 2-[5-[(2-isohexylphenyl)thio]pentyl]tetrahydropyran Formula: C22H36OS MolecularWeight: 348.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC1=CC=CC=C1SCCCCCC2CCCCO2

Isomeric SMILES

CC(C)CCCC1=CC=CC=C1SCCCCCC2CCCCO2

InChI

InChI=1S/C22H36OS/c1-19(2)11-10-13-20-12-5-6-16-22(20)24-18-9-3-4-14-21-15-7-8-17-23-21/h5-6,12,16,19,21H,3-4,7-11,13-15,17-18H2,1-2H3