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: PTJWIQPHWPFNBW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
14319


4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1
C9H12N2O6244.20148216276862
259675

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)
C9H12N2O6244.2014111300
9951246

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6+,7+/m1/s1
C9H12N2O6244.20144200
21542633

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5?,6?,7+/m1/s1
C9H12N2O6244.20144400
77498898

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1/i9+1,10+1,11+1
C813CH1215N2O6247.18093400
113617489

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5?,6+,7+/m1/s1
C9H12N2O6244.20142200
58784768

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5+,6?,7+/m1/s1
C9H12N2O6244.20142200
58784795

3 of 4 defined stereocentres - 3/4 defined

Non-standard isotope
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5+,6?,7+/m1/s1/i9+1,10+1,11+1
C813CH1215N2O6247.18091100
65792405

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5+,6+,7+/m1/s1
C9H12N2O6244.20141600
114552759

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5?,6+,7+/m0/s1
C9H12N2O6244.20141100
111308216

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5+,6?,7+/m0/s1
C9H12N2O6244.20141100

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