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: BPGIZMWGUQVFSE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
90851

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7+,8-/m1/s1
C9H12ClN3O4261.6623161500
9600367

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
C9H12ClN3O4261.662310800
1744

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)
C9H12ClN3O4261.66238800
52563357

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m0/s1
C9H12ClN3O4261.66234400
599899

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7+,8+/m0/s1
C9H12ClN3O4261.66233200
62654753

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6+,7-,8-/m0/s1
C9H12ClN3O4261.66232200
58780993

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6?,7-,8-/m1/s1
C9H12ClN3O4261.66231100
21218816

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7+,8-/m0/s1
C9H12ClN3O4261.66231100

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