6-[(E,3S)-5-dicyclohexylboranyl-2-methyl-3-phenylmethoxy-pent-4-en-2-yl]-4-methoxy-pyran-2-one

Systemtic Name: 6-[(E,3S)-5-dicyclohexylboranyl-2-methyl-3-phenylmethoxy-pent-4-en-2-yl]-4-methoxy-pyran-2-one Openeye Name: 6-[(E,2S)-2-benzyloxy-4-dicyclohexylboranyl-1,1-dimethyl-but-3-enyl]-4-methoxy-pyran-2-one CAS Name: 6-[(E,3S)-5-dicyclohexylboranyl-2-methyl-3-phenylmethoxypent-4-en-2-yl]-4-methoxy-2-pyranone IUPAC Name: 6-[(E,3S)-5-dicyclohexylboranyl-2-methyl-3-phenylmethoxypent-4-en-2-yl]-4-methoxypyran-2-one Traditional Name: 6-[(E,2S)-2-benzoxy-4-dicyclohexylboranyl-1,1-dimethyl-but-3-enyl]-4-methoxy-pyran-2-one Formula: C31H43BO4 MolecularWeight: 490.48172

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Descriptors Computed from Structure

Canonical SMILES:

B(C=CC(C(C)(C)C1=CC(=CC(=O)O1)OC)OCC2=CC=CC=C2)(C3CCCCC3)C4CCCCC4

Isomeric SMILES

B(/C=C/[C@@H](C(C)(C)C1=CC(=CC(=O)O1)OC)OCC2=CC=CC=C2)(C3CCCCC3)C4CCCCC4

InChI

InChI=1S/C31H43BO4/c1-31(2,29-21-27(34-3)22-30(33)36-29)28(35-23-24-13-7-4-8-14-24)19-20-32(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4,7-8,13-14,19-22,25-26,28H,5-6,9-12,15-18,23H2,1-3H3/b20-19+/t28-/m0/s1