9-chloranyl-2-[(1S)-3,3-dimethyl-1-oxidanyl-butyl]-7-ethyl-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]-7-ethyl-1-methoxy-8-methyl-6-oxidanyl-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 9-chloro-7-ethyl-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-7-ethyl-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-7-ethyl-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-7-ethyl-6-hydroxy-2-[(1S)-1-hydroxy-3,3-dimethyl-butyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C24H29ClO6 MolecularWeight: 448.93646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)(C)C)O)C(=C1C)Cl)O

Isomeric SMILES

CCC1=C(C2=C(COC(=O)C3=C(O2)C=CC(=C3OC)[C@H](CC(C)(C)C)O)C(=C1C)Cl)O

InChI

InChI=1S/C24H29ClO6/c1-7-13-12(2)19(25)15-11-30-23(28)18-17(31-22(15)20(13)27)9-8-14(21(18)29-6)16(26)10-24(3,4)5/h8-9,16,26-27H,7,10-11H2,1-6H3/t16-/m0/s1