iodanylmethane; 1-methoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-6-oxidanyl-9-pyridin-3-yl-10H-benzo[b][1,5]benzodioxocin-12-one

Systemtic Name: iodanylmethane; 1-methoxy-8-methyl-2-(3-methyl-1-oxidanyl-butyl)-6-oxidanyl-9-pyridin-3-yl-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 6-hydroxy-2-(1-hydroxy-3-methyl-butyl)-1-methoxy-8-methyl-9-(3-pyridyl)-10H-benzo[b][1,5]benzodioxocin-12-one; iodomethane CAS Name: 6-hydroxy-2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-9-(3-pyridinyl)-10H-benzo[b][1,5]benzodioxocin-12-one; iodomethane IUPAC Name: 6-hydroxy-2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-9-pyridin-3-yl-10H-benzo[b][1,5]benzodioxocin-12-one; iodomethane Traditional Name: 6-hydroxy-2-(1-hydroxy-3-methyl-butyl)-1-methoxy-8-methyl-9-(3-pyridyl)-10H-benzo[b][1,5]benzodioxocin-12-one; iodomethane Formula: C27H30INO6 MolecularWeight: 591.43467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1C3=CN=CC=C3)COC(=O)C4=C(O2)C=CC(=C4OC)C(CC(C)C)O)O.CI

Isomeric SMILES

CC1=CC(=C2C(=C1C3=CN=CC=C3)COC(=O)C4=C(O2)C=CC(=C4OC)C(CC(C)C)O)O.CI

InChI

InChI=1S/C26H27NO6.CH3I/c1-14(2)10-19(28)17-7-8-21-23(25(17)31-4)26(30)32-13-18-22(16-6-5-9-27-12-16)15(3)11-20(29)24(18)33-21;1-2/h5-9,11-12,14,19,28-29H,10,13H2,1-4H3;1H3