2,3-bis(oxidanyl)butanedioate; 2-ethylisoquinolin-2-ium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; 2-ethylisoquinolin-2-ium Openeye Name: 2,3-dihydroxybutanedioate; 2-ethylisoquinolin-2-ium CAS Name: 2,3-dihydroxybutanedioate; 2-ethylisoquinolin-2-ium IUPAC Name: 2,3-dihydroxybutanedioate; 2-ethylisoquinolin-2-ium Traditional Name: 2-ethylisoquinolin-2-ium tartrate Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC2=CC=CC=C2C=C1.CC[N+]1=CC2=CC=CC=C2C=C1.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

CC[N+]1=CC2=CC=CC=C2C=C1.CC[N+]1=CC2=CC=CC=C2C=C1.C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/2C11H12N.C4H6O6/c2*1-2-12-8-7-10-5-3-4-6-11(10)9-12;5-1(3(7)8)2(6)4(9)10/h2*3-9H,2H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/q2*+1;/p-2