[3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [3-(2,2-dimethyloxan-4-yl)-6-methyl-heptyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [3-(2,2-dimethyl-4-oxanyl)-6-methylheptyl]-[(4-ethoxy-3-methoxyphenyl)methyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [3-(2,2-dimethyloxan-4-yl)-6-methylheptyl]-[(4-ethoxy-3-methoxyphenyl)methyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: [3-(2,2-dimethyltetrahydropyran-4-yl)-6-methyl-heptyl]-(4-ethoxy-3-methoxy-benzyl)ammonium binoxalate Formula: C27H45NO7 MolecularWeight: 495.6487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH2+]CCC(CCC(C)C)C2CCOC(C2)(C)C)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH2+]CCC(CCC(C)C)C2CCOC(C2)(C)C)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H43NO3.C2H2O4/c1-7-28-23-11-9-20(16-24(23)27-6)18-26-14-12-21(10-8-19(2)3)22-13-15-29-25(4,5)17-22;3-1(4)2(5)6/h9,11,16,19,21-22,26H,7-8,10,12-15,17-18H2,1-6H3;(H,3,4)(H,5,6)