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

Systemtic Name: 2-(2,5-ditert-butyl-4-oxidanyl-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)ethanoic acid Openeye Name: 2-(2,5-ditert-butyl-4-hydroxy-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid CAS Name: 2-[(2,5-ditert-butyl-4-hydroxyphenoxy)-oxomethoxy]-2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid IUPAC Name: 2-(2,5-ditert-butyl-4-hydroxyphenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid Traditional Name: 2-(2,5-ditert-butyl-4-hydroxy-phenoxy)carbonyloxy-2-(6-nitro-1,3-benzodioxol-5-yl)acetic acid Formula: C24H27NO10 MolecularWeight: 489.47188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1OC(=O)OC(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)O)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1OC(=O)OC(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)O)C(C)(C)C)O

InChI

InChI=1S/C24H27NO10/c1-23(2,3)13-9-17(14(8-16(13)26)24(4,5)6)34-22(29)35-20(21(27)28)12-7-18-19(33-11-32-18)10-15(12)25(30)31/h7-10,20,26H,11H2,1-6H3,(H,27,28)