2-(4-aminophenyl)carbonyloxyethyl-octan-2-yl-azanium; 3-carboxy-3-(hydroxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-(4-aminophenyl)carbonyloxyethyl-octan-2-yl-azanium; 3-carboxy-3-(hydroxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-(4-aminobenzoyl)oxyethyl-(1-methylheptyl)ammonium; 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxo-butanoate CAS Name: 2-[(4-aminophenyl)-oxomethoxy]ethyl-octan-2-ylammonium; 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate IUPAC Name: 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium; 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate Traditional Name: 2-(4-aminobenzoyl)oxyethyl-(1-methylheptyl)ammonium; 3-carboxy-4-hydroxy-4-keto-3-methylol-butyrate Formula: C23H36N2O9 MolecularWeight: 484.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCOC(=O)C1=CC=C(C=C1)N.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(C)[NH2+]CCOC(=O)C1=CC=C(C=C1)N.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O

InChI

InChI=1S/C17H28N2O2.C6H8O7/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;7-2-6(4(10)11,5(12)13)1-3(8)9/h8-11,14,19H,3-7,12-13,18H2,1-2H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)