3-[4-oxidanyl-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoyl]oxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[4-oxidanyl-4-oxidanylidene-2,3-bis(phenylcarbonyloxy)butanoyl]oxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(2,3-dibenzoyloxy-4-hydroxy-4-oxo-butanoyl)oxy-4-(trimethylammonio)butanoate CAS Name: 3-(2,3-dibenzoyloxy-4-hydroxy-1,4-dioxobutoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoyl)oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(2,3-dibenzoyloxy-4-hydroxy-4-keto-butanoyl)oxy-4-(trimethylammonio)butyrate Formula: C25H27NO10 MolecularWeight: 501.48258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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