[5-(dioctylcarbamoyl)-2-oxidanyl-phenyl]boronic acid

Systemtic Name: [5-(dioctylcarbamoyl)-2-oxidanyl-phenyl]boronic acid Openeye Name: [5-(dioctylcarbamoyl)-2-hydroxy-phenyl]boronic acid CAS Name: [5-[(dioctylamino)-oxomethyl]-2-hydroxyphenyl]boronic acid IUPAC Name: [5-(dioctylcarbamoyl)-2-hydroxyphenyl]boronic acid Traditional Name: [5-(dioctylcarbamoyl)-2-hydroxy-phenyl]boronic acid Formula: C23H40BNO4 MolecularWeight: 405.379

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=CC(=C1)C(=O)N(CCCCCCCC)CCCCCCCC)O)(O)O

Isomeric SMILES

B(C1=C(C=CC(=C1)C(=O)N(CCCCCCCC)CCCCCCCC)O)(O)O

InChI

InChI=1S/C23H40BNO4/c1-3-5-7-9-11-13-17-25(18-14-12-10-8-6-4-2)23(27)20-15-16-22(26)21(19-20)24(28)29/h15-16,19,26,28-29H,3-14,17-18H2,1-2H3