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 8 results

Search term: PWLXJBSAUKKGCM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2838

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)
C11H16OS2228.374112700
5036469

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/t6-,7+,8+,9-,10+/m0/s1
C11H16OS2228.37414400
26374748

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/t6?,7-,8+,9?,10-/m0/s1
C11H16OS2228.37412200
59005737

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/t6-,7-,8-,9+,10+/m0/s1
C11H16OS2228.37412200
62311148

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/t6-,7-,8-,9-,10+/m0/s1
C11H16OS2228.37412200
2837

Charge

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/p-1
C11H15OS2227.36672200
9336551

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/t6-,7?,8?,9-,10?/m1/s1
C11H16OS2228.37411100
9642736

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/t6-,7-,8-,9-,10+/m1/s1
C11H16OS2228.37411100

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