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: XYUBQWNJDIAEES (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
106691

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
C9H11NO2S197.2541866822
2851926

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
C9H11NO2S197.254143528102
9140687

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
C9H11NO2S197.2541131000
24532066

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i6D2
C9H9D2NO2S199.26653200
58783006

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1D,2D,3D,4D,5D
C9H6D5NO2S202.28492200
77411225

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/p+1
C9H12NO2S198.26151100

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