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: KGSURTOFVLAWDC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
393171

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m1/s1
C6H12O5S196.221593500
3823460

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2
C6H12O5S196.22154310
26329930

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m0/s1
C6H12O5S196.22153500
4484084

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6+/m1/s1
C6H12O5S196.22152200
4484337

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/p+1/t2-,3-,4-,5-,6-/m1/s1
C6H13O5S197.22891100
4484083

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/p+1/t2-,3-,4-,5-,6+/m1/s1
C6H13O5S197.22891100
61667366

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6?/m1/s1
C6H12O5S196.22151100

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