[4-[2-(ethanoylsulfanylmethyl)-3-oxidanyl-3-oxidanylidene-propoxy]phenyl]boron

Systemtic Name: [4-[2-(ethanoylsulfanylmethyl)-3-oxidanyl-3-oxidanylidene-propoxy]phenyl]boron Openeye Name: [4-[2-(acetylsulfanylmethyl)-3-hydroxy-3-oxo-propoxy]phenyl]boron CAS Name: [4-[2-[(acetylthio)methyl]-3-hydroxy-3-oxopropoxy]phenyl]boron IUPAC Name: [4-[2-(acetylsulfanylmethyl)-3-hydroxy-3-oxopropoxy]phenyl]boron Traditional Name: [4-[2-[(acetylthio)methyl]-3-hydroxy-3-keto-propoxy]phenyl]boron Formula: C12H13BO4S MolecularWeight: 264.10522

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1=CC=C(C=C1)OCC(CSC(=O)C)C(=O)O

Isomeric SMILES

[B]C1=CC=C(C=C1)OCC(CSC(=O)C)C(=O)O

InChI

InChI=1S/C12H13BO4S/c1-8(14)18-7-9(12(15)16)6-17-11-4-2-10(13)3-5-11/h2-5,9H,6-7H2,1H3,(H,15,16)