acetyloxymethyl 2-(2,5-ditert-butyl-4-oxidanyl-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethanoate

Systemtic Name: acetyloxymethyl 2-(2,5-ditert-butyl-4-oxidanyl-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethanoate Openeye Name: acetoxymethyl 2-(2,5-ditert-butyl-4-hydroxy-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetate CAS Name: 2-[(2,5-ditert-butyl-4-hydroxyphenoxy)-oxomethoxy]-2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 2-(2,5-ditert-butyl-4-hydroxyphenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetate Traditional Name: 2-(2,5-ditert-butyl-4-hydroxy-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid acetoxymethyl ester Formula: C27H31NO12 MolecularWeight: 561.53454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(=O)C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)OC(=O)OC3=CC(=C(C=C3C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)OCOC(=O)C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)OC(=O)OC3=CC(=C(C=C3C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C27H31NO12/c1-14(29)35-12-38-24(31)23(15-8-21-22(37-13-36-21)11-18(15)28(33)34)40-25(32)39-20-10-16(26(2,3)4)19(30)9-17(20)27(5,6)7/h8-11,23,30H,12-13H2,1-7H3