2-oxidanyl-2-oxidanylidene-ethanoate; 1,5,5-trimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane]

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 1,5,5-trimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] Openeye Name: 2-hydroxy-2-oxo-acetate; 1,5,5-trimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] CAS Name: 2-hydroxy-2-oxoacetate; 1,5,5-trimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] IUPAC Name: 2-hydroxy-2-oxoacetate; 1,5,5-trimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] Traditional Name: 1,5,5-trimethylspiro[2,4-dihydro-1H-2-benzazepin-2-ium-3,1'-cyclohexane] binoxalate Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(CC3([NH2+]1)CCCCC3)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1C2=CC=CC=C2C(CC3([NH2+]1)CCCCC3)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H27N.C2H2O4/c1-14-15-9-5-6-10-16(15)17(2,3)13-18(19-14)11-7-4-8-12-18;3-1(4)2(5)6/h5-6,9-10,14,19H,4,7-8,11-13H2,1-3H3;(H,3,4)(H,5,6)