2-[2-tert-butyl-5-(phenylmethylsulfanyl)-1,3-dioxan-5-yl]ethanol

Systemtic Name: 2-[2-tert-butyl-5-(phenylmethylsulfanyl)-1,3-dioxan-5-yl]ethanol Openeye Name: 2-(5-benzylsulfanyl-2-tert-butyl-1,3-dioxan-5-yl)ethanol CAS Name: 2-[2-tert-butyl-5-(phenylmethylthio)-1,3-dioxan-5-yl]ethanol IUPAC Name: 2-(5-benzylsulfanyl-2-tert-butyl-1,3-dioxan-5-yl)ethanol Traditional Name: 2-[5-(benzylthio)-2-tert-butyl-1,3-dioxan-5-yl]ethanol Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1OCC(CO1)(CCO)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1OCC(CO1)(CCO)SCC2=CC=CC=C2

InChI

InChI=1S/C17H26O3S/c1-16(2,3)15-19-12-17(9-10-18,13-20-15)21-11-14-7-5-4-6-8-14/h4-8,15,18H,9-13H2,1-3H3