3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; dimethyl-[2-[(2-methylphenyl)-phenyl-methoxy]ethyl]azanium

Systemtic Name: 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; dimethyl-[2-[(2-methylphenyl)-phenyl-methoxy]ethyl]azanium Openeye Name: 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate; dimethyl-[2-[o-tolyl(phenyl)methoxy]ethyl]ammonium CAS Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]ammonium IUPAC Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; dimethyl-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]azanium Traditional Name: 3-carboxy-3,5-dihydroxy-5-keto-valerate; dimethyl-[2-[o-tolyl(phenyl)methoxy]ethyl]ammonium Formula: C24H31NO8 MolecularWeight: 461.50484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC[NH+](C)C.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)OCC[NH+](C)C.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O

InChI

InChI=1S/C18H23NO.C6H8O7/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-12,18H,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)