3-[[2-ethoxy-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]methyl]-2,4-dimethyl-2-phosphoroso-pentanoic acid

Systemtic Name: 3-[[2-ethoxy-1,3-bis(oxidanylidene)isoindol-2-ium-2-yl]methyl]-2,4-dimethyl-2-phosphoroso-pentanoic acid Openeye Name: 3-[(2-ethoxy-1,3-dioxo-isoindolin-2-ium-2-yl)methyl]-2,4-dimethyl-2-phosphoroso-pentanoic acid CAS Name: 3-[(2-ethoxy-1,3-dioxo-2-isoindol-2-iumyl)methyl]-2,4-dimethyl-2-phosphorosopentanoic acid IUPAC Name: 3-[(2-ethoxy-1,3-dioxoisoindol-2-ium-2-yl)methyl]-2,4-dimethyl-2-phosphorosopentanoic acid Traditional Name: 3-[(2-ethoxy-1,3-diketo-isoindolin-2-ium-2-yl)methyl]-2,4-dimethyl-2-phosphoroso-valeric acid Formula: C18H23NO6P+ MolecularWeight: 380.352081

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Descriptors Computed from Structure

Canonical SMILES:

CCO[N+]1(C(=O)C2=CC=CC=C2C1=O)CC(C(C)C)C(C)(C(=O)O)P=O

Isomeric SMILES

CCO[N+]1(C(=O)C2=CC=CC=C2C1=O)CC(C(C)C)C(C)(C(=O)O)P=O

InChI

InChI=1S/C18H22NO6P/c1-5-25-19(10-14(11(2)3)18(4,26-24)17(22)23)15(20)12-8-6-7-9-13(12)16(19)21/h6-9,11,14H,5,10H2,1-4H3/p+1