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 9 results

Search term: NOKPBJYHPHHWAN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
102939

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
C3H7NO5S2201.22145819800
22297

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
C3H7NO5S2201.2214181600
5036965

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/p-1/t2-/m0/s1
C3H6NO5S2200.2145600
389667

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1
C3H7NO5S2201.22144400
24532170

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/i1D2,2D
C3H4D3NO5S2204.23993200
67036505

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1/i/hD
C3H6DNO5S2202.22751100
107446290

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m1/s1/i1+1,2+1,3+1,4+1
13C3H715NO5S2205.19281100
3587777

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/p-1
C3H6NO5S2200.213441100

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