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 15 results

Search term: NKZDPBSWYPINNF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28176

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/m1/s1
C11H18O5230.2576643900
6334414

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9-/m0/s1
C11H18O5230.2576362700
453432

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3
C11H18O5230.2576111000
9854955

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8-,9+/m1/s1
C11H18O5230.25765200
21436144

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7-,8?,9-/m1/s1
C11H18O5230.25763300
60497948

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8?,9-/m1/s1
C11H18O5230.25762100
71116440

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7-,8?,9+/m0/s1
C11H18O5230.25762200
96648054

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8+,9?/m1/s1
C11H18O5230.25761100
97083567

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7?,8?,9-/m0/s1
C11H18O5230.25761100
97087527

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6?,7-,8+,9+/m1/s1
C11H18O5230.25761100
111309038

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7-,8?,9+/m1/s1
C11H18O5230.25761100
111309068

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7-,8?,9-/m0/s1
C11H18O5230.25761100
113607009

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7-,8-,9-/m1/s1
C11H18O5230.25761100
113607602

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7-,8-,9-/m0/s1
C11H18O5230.25761100
114553132

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)12-5-6-7(14-10)8-9(13-6)16-11(3,4)15-8/h6-9H,5H2,1-4H3/t6-,7+,8?,9-/m0/s1
C11H18O5230.25761100

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