tris(2-hydroxyethyl) 2-[3,4-bis(oxidanyl)butanoyloxy]indolizine-6,7,8-tricarboxylate

Systemtic Name: tris(2-hydroxyethyl) 2-[3,4-bis(oxidanyl)butanoyloxy]indolizine-6,7,8-tricarboxylate Openeye Name: tris(2-hydroxyethyl) 2-(3,4-dihydroxybutanoyloxy)indolizine-6,7,8-tricarboxylate CAS Name: 2-(3,4-dihydroxy-1-oxobutoxy)indolizine-6,7,8-tricarboxylic acid tris(2-hydroxyethyl) ester IUPAC Name: tris(2-hydroxyethyl) 2-(3,4-dihydroxybutanoyloxy)indolizine-6,7,8-tricarboxylate Traditional Name: 2-(3,4-dihydroxybutanoyloxy)indolizine-6,7,8-tricarboxylic acid tris(2-hydroxyethyl) ester Formula: C21H25NO13 MolecularWeight: 499.4221

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=CN2C=C1OC(=O)CC(CO)O)C(=O)OCCO)C(=O)OCCO)C(=O)OCCO

Isomeric SMILES

C1=C2C(=C(C(=CN2C=C1OC(=O)CC(CO)O)C(=O)OCCO)C(=O)OCCO)C(=O)OCCO

InChI

InChI=1S/C21H25NO13/c23-1-4-32-19(29)14-10-22-9-13(35-16(28)7-12(27)11-26)8-15(22)18(21(31)34-6-3-25)17(14)20(30)33-5-2-24/h8-10,12,23-27H,1-7,11H2