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

Systemtic Name: 2-carboxy-2-(hydroxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate; diethyl-[2-[2-(4-methoxy-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]azanium Openeye Name: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxo-butanoate; diethyl-[2-[2-(4-methoxy-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]ammonium CAS Name: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate; diethyl-[2-[2-(4-methoxy-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]ammonium IUPAC Name: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate; diethyl-[2-[2-(4-methoxy-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]azanium Traditional Name: 2-carboxy-4-hydroxy-4-keto-2-methylol-butyrate; diethyl-[2-[2-(4-methoxy-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]ammonium Formula: C23H35NO11 MolecularWeight: 501.5241

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOCCC1(OC2=C(O1)C(=CC=C2)OC)C.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOCCC1(OC2=C(O1)C(=CC=C2)OC)C.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-]

InChI

InChI=1S/C17H27NO4.C6H8O7/c1-5-18(6-2)11-13-20-12-10-17(3)21-15-9-7-8-14(19-4)16(15)22-17;7-2-6(4(10)11,5(12)13)1-3(8)9/h7-9H,5-6,10-13H2,1-4H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)