2-butyl-5-(3-methylbutanoyl)-3a,7-bis(3-methylbut-2-enyl)-6-oxidanyl-1,3,2-benzodioxaborol-4-one

Systemtic Name: 2-butyl-5-(3-methylbutanoyl)-3a,7-bis(3-methylbut-2-enyl)-6-oxidanyl-1,3,2-benzodioxaborol-4-one Openeye Name: 2-butyl-6-hydroxy-5-(3-methylbutanoyl)-3a,7-bis(3-methylbut-2-enyl)-1,3,2-benzodioxaborol-4-one CAS Name: 2-butyl-6-hydroxy-3a,7-bis(3-methylbut-2-enyl)-5-(3-methyl-1-oxobutyl)-1,3,2-benzodioxaborol-4-one IUPAC Name: 2-butyl-6-hydroxy-5-(3-methylbutanoyl)-3a,7-bis(3-methylbut-2-enyl)-1,3,2-benzodioxaborol-4-one Traditional Name: 2-butyl-6-hydroxy-5-isovaleryl-3a,7-bis(3-methylbut-2-enyl)-1,3,2-benzodioxaborol-4-one Formula: C25H37BO5 MolecularWeight: 428.36928

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC2=C(C(=C(C(=O)C2(O1)CC=C(C)C)C(=O)CC(C)C)O)CC=C(C)C)CCCC

Isomeric SMILES

B1(OC2=C(C(=C(C(=O)C2(O1)CC=C(C)C)C(=O)CC(C)C)O)CC=C(C)C)CCCC

InChI

InChI=1S/C25H37BO5/c1-8-9-14-26-30-24-19(11-10-16(2)3)22(28)21(20(27)15-18(6)7)23(29)25(24,31-26)13-12-17(4)5/h10,12,18,28H,8-9,11,13-15H2,1-7H3