11-[2-[4-(dihydroxyboranyl)phenyl]-2-oxidanylidene-ethyl]sulfanylundecyl sulfate

Systemtic Name: 11-[2-[4-(dihydroxyboranyl)phenyl]-2-oxidanylidene-ethyl]sulfanylundecyl sulfate Openeye Name: 11-[2-(4-boronophenyl)-2-oxo-ethyl]sulfanylundecyl sulfate CAS Name: 11-[[2-(4-boronophenyl)-2-oxoethyl]thio]undecyl sulfate IUPAC Name: 11-[2-(4-boronophenyl)-2-oxoethyl]sulfanylundecyl sulfate Traditional Name: 11-[[2-(4-boronophenyl)-2-keto-ethyl]thio]undecyl sulfate Formula: C19H30BO7S2- MolecularWeight: 445.3783

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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)/p-1