[2-(4-carboxyphenyl)-2-methyl-pentan-3-yl]oxysulfanylboron

Systemtic Name: [2-(4-carboxyphenyl)-2-methyl-pentan-3-yl]oxysulfanylboron Openeye Name: [2-(4-carboxyphenyl)-1-ethyl-2-methyl-propoxy]sulfanylboron CAS Name: [[2-(4-carboxyphenyl)-2-methylpentan-3-yl]oxythio]boron IUPAC Name: [2-(4-carboxyphenyl)-2-methylpentan-3-yl]oxysulfanylboron Traditional Name: [[2-(4-carboxyphenyl)-1-ethyl-2-methyl-propoxy]thio]boron Formula: C13H17BO3S MolecularWeight: 264.14828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B]SOC(CC)C(C)(C)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

[B]SOC(CC)C(C)(C)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H17BO3S/c1-4-11(17-18-14)13(2,3)10-7-5-9(6-8-10)12(15)16/h5-8,11H,4H2,1-3H3,(H,15,16)