tert-butyl-[3-[5-[(3,4-dimethoxyphenyl)carbonylamino]naphthalen-1-yl]oxy-2-oxidanyl-propyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: tert-butyl-[3-[5-[(3,4-dimethoxyphenyl)carbonylamino]naphthalen-1-yl]oxy-2-oxidanyl-propyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: tert-butyl-[3-[[5-[(3,4-dimethoxybenzoyl)amino]-1-naphthyl]oxy]-2-hydroxy-propyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: tert-butyl-[3-[[5-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-1-naphthalenyl]oxy]-2-hydroxypropyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: tert-butyl-[3-[5-[(3,4-dimethoxybenzoyl)amino]naphthalen-1-yl]oxy-2-hydroxypropyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: tert-butyl-[2-hydroxy-3-[5-(veratroylamino)-1-naphthoxy]propyl]ammonium binoxalate Formula: C28H34N2O9 MolecularWeight: 542.57756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(COC1=CC=CC2=C1C=CC=C2NC(=O)C3=CC(=C(C=C3)OC)OC)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)(C)[NH2+]CC(COC1=CC=CC2=C1C=CC=C2NC(=O)C3=CC(=C(C=C3)OC)OC)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H32N2O5.C2H2O4/c1-26(2,3)27-15-18(29)16-33-22-11-7-8-19-20(22)9-6-10-21(19)28-25(30)17-12-13-23(31-4)24(14-17)32-5;3-1(4)2(5)6/h6-14,18,27,29H,15-16H2,1-5H3,(H,28,30);(H,3,4)(H,5,6)