[4-(4-tert-butylsulfanylphenyl)-2,5-bis(2-ethylhexoxy)phenyl]boronic acid

Systemtic Name: [4-(4-tert-butylsulfanylphenyl)-2,5-bis(2-ethylhexoxy)phenyl]boronic acid Openeye Name: [4-(4-tert-butylsulfanylphenyl)-2,5-bis(2-ethylhexoxy)phenyl]boronic acid CAS Name: [4-[4-(tert-butylthio)phenyl]-2,5-bis(2-ethylhexoxy)phenyl]boronic acid IUPAC Name: [4-(4-tert-butylsulfanylphenyl)-2,5-bis(2-ethylhexoxy)phenyl]boronic acid Traditional Name: [4-[4-(tert-butylthio)phenyl]-2,5-bis(2-ethylhexoxy)phenyl]boronic acid Formula: C32H51BO4S MolecularWeight: 542.62094

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=C(C=C1OCC(CC)CCCC)C2=CC=C(C=C2)SC(C)(C)C)OCC(CC)CCCC)(O)O

Isomeric SMILES

B(C1=CC(=C(C=C1OCC(CC)CCCC)C2=CC=C(C=C2)SC(C)(C)C)OCC(CC)CCCC)(O)O

InChI

InChI=1S/C32H51BO4S/c1-8-12-14-24(10-3)22-36-30-21-29(33(34)35)31(37-23-25(11-4)15-13-9-2)20-28(30)26-16-18-27(19-17-26)38-32(5,6)7/h16-21,24-25,34-35H,8-15,22-23H2,1-7H3