9-chloranyl-2-[(1S)-3,3-dimethyl-1-oxidanyl-butyl]-1-methoxy-8-methyl-6-oxidanyl-10H-benzo[b][1,5]benzodioxocin-12-one

Systemtic Name: 9-chloranyl-2-[(1S)-3,3-dimethyl-1-oxidanyl-butyl]-1-methoxy-8-methyl-6-oxidanyl-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 9-chloro-6-hydroxy-2-[(1S)-1-hydroxy-3,3-dimethyl-butyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 9-chloro-6-hydroxy-2-[(1S)-1-hydroxy-3,3-dimethylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 9-chloro-6-hydroxy-2-[(1S)-1-hydroxy-3,3-dimethylbutyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 9-chloro-6-hydroxy-2-[(1S)-1-hydroxy-3,3-dimethyl-butyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C22H25ClO6 MolecularWeight: 420.8833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1Cl)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)(C)C)O)O

Isomeric SMILES

CC1=CC(=C2C(=C1Cl)COC(=O)C3=C(O2)C=CC(=C3OC)[C@H](CC(C)(C)C)O)O

InChI

InChI=1S/C22H25ClO6/c1-11-8-14(24)19-13(18(11)23)10-28-21(26)17-16(29-19)7-6-12(20(17)27-5)15(25)9-22(2,3)4/h6-8,15,24-25H,9-10H2,1-5H3/t15-/m0/s1