3-[4-oxidanidyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxycarbonyl-2,3-bis(oxidanyl)-4-oxidanylidene-4-phenyl-2-(phenylcarbonyl)butanoate

Systemtic Name: 3-[4-oxidanidyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxycarbonyl-2,3-bis(oxidanyl)-4-oxidanylidene-4-phenyl-2-(phenylcarbonyl)butanoate Openeye Name: 2,3-dibenzoyl-2,3-dihydroxy-4-[3-oxido-3-oxo-1-[(trimethylammonio)methyl]propoxy]-4-oxo-butanoate CAS Name: 2,3-dibenzoyl-2,3-dihydroxy-4-[4-oxido-4-oxo-1-(trimethylammonio)butan-2-yl]oxy-4-oxobutanoate IUPAC Name: 2,3-dibenzoyl-2,3-dihydroxy-4-[4-oxido-4-oxo-1-(trimethylazaniumyl)butan-2-yl]oxy-4-oxobutanoate Traditional Name: 2,3-dibenzoyl-2,3-dihydroxy-4-keto-4-[3-keto-3-oxido-1-[(trimethylammonio)methyl]propoxy]butyrate Formula: C25H26NO10- MolecularWeight: 500.47464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO10/c1-26(2,3)15-18(14-19(27)28)36-23(33)25(35,21(30)17-12-8-5-9-13-17)24(34,22(31)32)20(29)16-10-6-4-7-11-16/h4-13,18,34-35H,14-15H2,1-3H3,(H-,27,28,31,32)/p-1