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 22 results

Search term: LEVWYRKDKASIDU (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
575


0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
C6H12N2O4S2240.300514261474391396
60997


2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
C6H12N2O4S2240.3005123328654208
5256874

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m1/s1
C6H12N2O4S2240.3005801262423
2300320

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1
C6H12N2O4S2240.30048534229647199
5360131

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4+
C6H12N2O4S2240.3005342700
21587118

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4?/m1/s1
C6H12N2O4S2240.3005331900
24532383

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/i1D2,2D2,3D,4D
C6H6D6N2O4S2246.337591401
49071595

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1/i5+1,6+1
C413C2H12N2O4S2242.28589700
21403044

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/i1D2,2D2
C6H8D4N2O4S2244.32517500
115011050

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1/i13+2,14+2
C6H12N2O434S2244.10626600
115011048

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1/i1D2,2D2
C6H8D4N2O4S2244.32514400
49072000

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1/i7+1,8+1
C6H1215N2O4S2242.28734300
57268193

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1/i1+1,2+1
C413C2H12N2O4S2242.28583200
48058481

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1
13C6H1215N2O4S2248.24323400
8306532

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/i5+1,6+1
C413C2H12N2O4S2242.28582100
21232450

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/p-2/t3-,4-/m0/s1
C6H10N2O4S2238.28572100
66000047

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1/i1D2,3D/hD
C6H8D4N2O4S2244.32511100
115011049

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4+/i7+1,8+1
C6H1215N2O4S2242.28731100
12

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