[4-[2-(11-sulfooxyundecylsulfanyl)ethanoyl]phenyl]boronic acid

Systemtic Name: [4-[2-(11-sulfooxyundecylsulfanyl)ethanoyl]phenyl]boronic acid Openeye Name: [4-[2-(11-sulfooxyundecylsulfanyl)acetyl]phenyl]boronic acid CAS Name: [4-[1-oxo-2-(11-sulfooxyundecylthio)ethyl]phenyl]boronic acid IUPAC Name: [4-[2-(11-sulfooxyundecylsulfanyl)acetyl]phenyl]boronic acid Traditional Name: [4-[2-(11-sulfoxyundecylthio)acetyl]phenyl]boronic acid Formula: C19H31BO7S2 MolecularWeight: 446.38624

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C(=O)CSCCCCCCCCCCCOS(=O)(=O)O)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)C(=O)CSCCCCCCCCCCCOS(=O)(=O)O)(O)O

InChI

InChI=1S/C19H31BO7S2/c21-19(17-10-12-18(13-11-17)20(22)23)16-28-15-9-7-5-3-1-2-4-6-8-14-27-29(24,25)26/h10-13,22-23H,1-9,14-16H2,(H,24,25,26)