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

Systemtic Name: 1-methoxy-8-methyl-6-(3-methylbutoxy)-2-(3-methyl-1-oxidanyl-butyl)-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one Openeye Name: 2-(1-hydroxy-3-methyl-butyl)-6-isopentyloxy-1-methoxy-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one CAS Name: 2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-6-(3-methylbutoxy)-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one IUPAC Name: 2-(1-hydroxy-3-methylbutyl)-1-methoxy-8-methyl-6-(3-methylbutoxy)-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one Traditional Name: 2-(1-hydroxy-3-methyl-butyl)-6-isoamoxy-1-methoxy-8-methyl-9-nitro-10H-benzo[b][1,5]benzodioxocin-12-one Formula: C26H33NO8 MolecularWeight: 487.54212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1[N+](=O)[O-])COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)O)OCCC(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1[N+](=O)[O-])COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)O)OCCC(C)C

InChI

InChI=1S/C26H33NO8/c1-14(2)9-10-33-21-12-16(5)23(27(30)31)18-13-34-26(29)22-20(35-24(18)21)8-7-17(25(22)32-6)19(28)11-15(3)4/h7-8,12,14-15,19,28H,9-11,13H2,1-6H3