9-chloranyl-2-[(1S)-3,3-dimethyl-1-oxidanyl-butyl]-1-methoxy-8-methyl-6-phenylmethoxy-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-phenylmethoxy-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 6-benzyloxy-9-chloro-2-[(1S)-1-hydroxy-3,3-dimethyl-butyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 9-chloro-2-[(1S)-1-hydroxy-3,3-dimethylbutyl]-1-methoxy-8-methyl-6-phenylmethoxy-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 9-chloro-2-[(1S)-1-hydroxy-3,3-dimethylbutyl]-1-methoxy-8-methyl-6-phenylmethoxy-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 6-benzoxy-9-chloro-2-[(1S)-1-hydroxy-3,3-dimethyl-butyl]-1-methoxy-8-methyl-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C29H31ClO6 MolecularWeight: 511.00584

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C2C(=C1Cl)COC(=O)C3=C(O2)C=CC(=C3OC)[C@H](CC(C)(C)C)O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31ClO6/c1-17-13-23(34-15-18-9-7-6-8-10-18)26-20(25(17)30)16-35-28(32)24-22(36-26)12-11-19(27(24)33-5)21(31)14-29(2,3)4/h6-13,21,31H,14-16H2,1-5H3/t21-/m0/s1