3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; (1-ethylpyrrolidin-1-ium-3-yl)methyl 2-ethoxy-2,2-diphenyl-ethanoate

Systemtic Name: 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; (1-ethylpyrrolidin-1-ium-3-yl)methyl 2-ethoxy-2,2-diphenyl-ethanoate Openeye Name: 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate; (1-ethylpyrrolidin-1-ium-3-yl)methyl 2-ethoxy-2,2-diphenyl-acetate CAS Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; 2-ethoxy-2,2-diphenylacetic acid (1-ethyl-3-pyrrolidin-1-iumyl)methyl ester IUPAC Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; (1-ethylpyrrolidin-1-ium-3-yl)methyl 2-ethoxy-2,2-diphenylacetate Traditional Name: 3-carboxy-3,5-dihydroxy-5-keto-valerate; 2-ethoxy-2,2-diphenyl-acetic acid (1-ethylpyrrolidin-1-ium-3-yl)methyl ester Formula: C29H37NO10 MolecularWeight: 559.60478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

Isomeric SMILES

CC[NH+]1CCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

InChI

InChI=1S/C23H29NO3.C6H8O7/c1-3-24-16-15-19(17-24)18-26-22(25)23(27-4-2,20-11-7-5-8-12-20)21-13-9-6-10-14-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-14,19H,3-4,15-18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)