2-carboxy-2-(hydroxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate; diethyl-[3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]propyl]azanium

Systemtic Name: 2-carboxy-2-(hydroxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate; diethyl-[3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]propyl]azanium Openeye Name: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxo-butanoate; diethyl-[3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]propyl]ammonium CAS Name: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate; diethyl-[3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]propyl]ammonium IUPAC Name: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate; diethyl-[3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]propyl]azanium Traditional Name: 2-carboxy-4-hydroxy-4-keto-2-methylol-butyrate; diethyl-[3-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]propyl]ammonium Formula: C23H35NO10 MolecularWeight: 485.5247

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCOCCC1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCOCCC1(OC2=CC=CC=C2O1)C.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-]

InChI

InChI=1S/C17H27NO3.C6H8O7/c1-4-18(5-2)12-8-13-19-14-11-17(3)20-15-9-6-7-10-16(15)21-17;7-2-6(4(10)11,5(12)13)1-3(8)9/h6-7,9-10H,4-5,8,11-14H2,1-3H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)