[3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]-[(4-propan-2-yloxyphenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]-[(4-propan-2-yloxyphenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]-[(4-isopropoxyphenyl)methyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [3-(2,2-dimethyl-4-oxanyl)-6-methylheptyl]-[(4-propan-2-yloxyphenyl)methyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]-[(4-propan-2-yloxyphenyl)methyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: [3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]-(4-isopropoxybenzyl)ammonium binoxalate Formula: C27H45NO6 MolecularWeight: 479.6493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1=CC=C(C=C1)OC(C)C)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC(C)CCC(CC[NH2+]CC1=CC=C(C=C1)OC(C)C)C2CCOC(C2)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H43NO2.C2H2O4/c1-19(2)7-10-22(23-14-16-27-25(5,6)17-23)13-15-26-18-21-8-11-24(12-9-21)28-20(3)4;3-1(4)2(5)6/h8-9,11-12,19-20,22-23,26H,7,10,13-18H2,1-6H3;(H,3,4)(H,5,6)