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 12 results

Search term: PITVFGWVJISGEN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2095569

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3/t6-,7-,8+,9+/m0/s1
C11H18O5230.25762352100
9819044

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3/t6-,7-,8+,9?/m0/s1
C11H18O5230.257611800
18563107

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3/t6-,7-,8+,9+/m1/s1
C11H18O5230.257611900
34451235

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3/t6-,7+,8-,9?/m1/s1
C11H18O5230.25767500
470676

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3
C11H18O5230.25764400
27474400

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3/t6-,7-,8+,9-/m0/s1
C11H18O5230.25763100
71116429

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3/t6-,7+,8?,9+/m0/s1
C11H18O5230.25762200
27472172

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3/t6-,7-,8-,9?/m0/s1
C11H18O5230.25762100
74048815

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3/t6-,7?,8?,9-/m1/s1
C11H18O5230.25761100
96657631

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3/t6-,7?,8+,9+/m0/s1
C11H18O5230.25761100
111309017

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H18O5/c1-10(2)13-6-5-12-9-8(7(6)14-10)15-11(3,4)16-9/h6-9H,5H2,1-4H3/t6-,7?,8+,9+/m1/s1
C11H18O5230.25761100
111309062

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

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