bis[(2-methylpropan-2-yl)oxy]methyl-[2-(3-phenylsulfanylphenyl)phenyl]oxidanium

Systemtic Name: bis[(2-methylpropan-2-yl)oxy]methyl-[2-(3-phenylsulfanylphenyl)phenyl]oxidanium Openeye Name: ditert-butoxymethyl-[2-(3-phenylsulfanylphenyl)phenyl]oxonium CAS Name: bis[(2-methylpropan-2-yl)oxy]methyl-[2-[3-(phenylthio)phenyl]phenyl]oxonium IUPAC Name: bis[(2-methylpropan-2-yl)oxy]methyl-[2-(3-phenylsulfanylphenyl)phenyl]oxidanium Traditional Name: ditert-butoxymethyl-[2-[3-(phenylthio)phenyl]phenyl]oxonium Formula: C27H33O3S+ MolecularWeight: 437.61412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC([OH+]C1=CC=CC=C1C2=CC(=CC=C2)SC3=CC=CC=C3)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC([OH+]C1=CC=CC=C1C2=CC(=CC=C2)SC3=CC=CC=C3)OC(C)(C)C

InChI

InChI=1S/C27H32O3S/c1-26(2,3)29-25(30-27(4,5)6)28-24-18-11-10-17-23(24)20-13-12-16-22(19-20)31-21-14-8-7-9-15-21/h7-19,25H,1-6H3/p+1