Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 7 results

Search term: XAHGBSMZOUCKFJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
80941

Charge
InChI=1/2C5H10O6.Ca/c2*6-1-2(7)3(8)4(9)5(10)11;/h2*2-4,6-9H,1H2,(H,10,11);/q;;+2/p-2/t2*2-,3-,4+;/m11./s1
C10H18CaO12370.3207322300
35466723

Charge
InChI=1/2C5H10O6.Ca/c2*6-1-2(7)3(8)4(9)5(10)11;/h2*2-4,6-9H,1H2,(H,10,11);/q;;+2/p-2/t2*2-,3+,4-;/m11./s1
C10H18CaO12370.32077500
2015134

Charge
InChI=1/2C5H10O6.Ca/c2*6-1-2(7)3(8)4(9)5(10)11;/h2*2-4,6-9H,1H2,(H,10,11);/q;;+2/p-2
C10H18CaO12370.320725400
57269282

Charge
InChI=1/2C5H10O6.Ca/c2*6-1-2(7)3(8)4(9)5(10)11;/h2*2-4,6-9H,1H2,(H,10,11);/q;;+2/p-2/t2*2-,3-,4+;/m00./s1
C10H18CaO12370.32074300
34019166

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/2C5H10O6.Ca/c2*6-1-2(7)3(8)4(9)5(10)11;/h2*2-4,6-9H,1H2,(H,10,11);/q;;+2/p-2/t2-,3+,4-;2-,3-,4+;/m01./s1
C10H18CaO12370.32071100

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