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
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Found 6 results

Search term: IMRWMDAHKYBDMQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4678152

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2/t10-,11+,18+/m1/s1
C18H14BrN3O2S416.2917111000
9490969

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2/t10-,11-,18-/m0/s1
C18H14BrN3O2S416.29172100
9836361

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2/t10?,11-,18-/m1/s1
C18H14BrN3O2S416.29172100
29394159

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2/p+1/t10-,11+,18+/m1/s1
C18H15BrN3O2S417.29912200
57641807

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2/t10-,11-,18+/m1/s1
C18H14BrN3O2S416.29171100
4677878

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C18H14BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h4,6,10-11,21-22H,1-3,5H2/t10-,11-,18?/m1/s1
C18H14BrN3O2S416.29171100

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