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54723-94-3 molecular structure
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7-({bis[(7-hydroxy-1,1,3,3,5,5,7,7-octaoxotetramolybdoxan-1-yl)oxy]phosphoryl}oxy)-3,3,5,5,7,7-hexaoxotetramolybdoxan-1-oylol triamine hydrate

ChemBase ID: 140704
Molecular Formular: H14Mo12N3O41P
Molecular Mass: 1894.600421
Monoisotopic Mass: 1917.74892951
SMILES and InChIs

SMILES:
N.N.N.O.O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)OP(=O)(O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O
Canonical SMILES:
O=P(O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O)(O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O[Mo](=O)(=O)O.N.N.N.O
InChI:
InChI=1S/12Mo.3H3N.H3O4P.4H2O.33O/c;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;3*1H3;(H3,1,2,3,4);4*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;6*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-6
InChIKey:
WQMIVLOOQSEREN-UHFFFAOYSA-H

Cite this record

CBID:140704 http://www.chembase.cn/molecule-140704.html

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