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 5 results

Search term: QFKNGTBCUDLSTK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3025297

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H9NO5S2/c11-6-4-7(9(12)13)10(5-6)17(14,15)8-2-1-3-16-8/h1-3,7H,4-5H2,(H,12,13)
C9H9NO5S2275.30146182000
1217920

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H9NO5S2/c11-6-4-7(9(12)13)10(5-6)17(14,15)8-2-1-3-16-8/h1-3,7H,4-5H2,(H,12,13)/t7-/m0/s1
C9H9NO5S2275.30152100
1217921

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H9NO5S2/c11-6-4-7(9(12)13)10(5-6)17(14,15)8-2-1-3-16-8/h1-3,7H,4-5H2,(H,12,13)/t7-/m1/s1
C9H9NO5S2275.30152100
5355216

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H9NO5S2/c11-6-4-7(9(12)13)10(5-6)17(14,15)8-2-1-3-16-8/h1-3,7H,4-5H2,(H,12,13)/p-1/t7-/m1/s1
C9H8NO5S2274.29411100
5355217

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H9NO5S2/c11-6-4-7(9(12)13)10(5-6)17(14,15)8-2-1-3-16-8/h1-3,7H,4-5H2,(H,12,13)/p-1/t7-/m0/s1
C9H8NO5S2274.29411100

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