dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzocyclohepten-5-yl)oxy]ethyl]ammonium binoxalate Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1(CCCCC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)CCOC1(CCCCC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H27NO.C2H2O4/c1-22(2)16-17-23-21(19-12-4-3-5-13-19)15-9-8-11-18-10-6-7-14-20(18)21;3-1(4)2(5)6/h3-7,10,12-14H,8-9,11,15-17H2,1-2H3;(H,3,4)(H,5,6)