[4-[4-[2-methyl-4-oxidanyl-4-oxidanylidene-3-(phenylmethyl)butyl]phenyl]phenyl]methoxysulfanylboron

Systemtic Name: [4-[4-[2-methyl-4-oxidanyl-4-oxidanylidene-3-(phenylmethyl)butyl]phenyl]phenyl]methoxysulfanylboron Openeye Name: [4-[4-(3-benzyl-4-hydroxy-2-methyl-4-oxo-butyl)phenyl]phenyl]methoxysulfanylboron CAS Name: [[4-[4-[4-hydroxy-2-methyl-4-oxo-3-(phenylmethyl)butyl]phenyl]phenyl]methoxythio]boron IUPAC Name: [4-[4-(3-benzyl-4-hydroxy-2-methyl-4-oxobutyl)phenyl]phenyl]methoxysulfanylboron Traditional Name: [[4-[4-(3-benzyl-4-hydroxy-4-keto-2-methyl-butyl)phenyl]benzyl]oxythio]boron Formula: C25H25BO3S MolecularWeight: 416.3402

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Descriptors Computed from Structure

Canonical SMILES:

[B]SOCC1=CC=C(C=C1)C2=CC=C(C=C2)CC(C)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

[B]SOCC1=CC=C(C=C1)C2=CC=C(C=C2)CC(C)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H25BO3S/c1-18(24(25(27)28)16-19-5-3-2-4-6-19)15-20-7-11-22(12-8-20)23-13-9-21(10-14-23)17-29-30-26/h2-14,18,24H,15-17H2,1H3,(H,27,28)