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 19 results

Search term: LPQZKKCYTLCDGQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
110216

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1
C10H12N4O5S300.2911112118206911
8102789

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10?/m1/s1
C10H12N4O5S300.2911191400
50569

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7?,8-,10-/m0/s1
C10H12N4O5S300.2911161400
4670

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)
C10H12N4O5S300.29111571700
5408763

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10-/m1/s1
C10H12N4O5S300.29116200
5408772

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/p-1/t7-,8+,10+/m1/s1
C10H11N4O5S299.28373300
16744223

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8-,10-/m0/s1
C10H12N4O5S300.29113300
32770064

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7?,8?,10-/m0/s1
C10H12N4O5S300.29112200
78317961

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7?,8-,10?/m1/s1
C10H12N4O5S300.29112200
5408762

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/p-1/t7-,8+,10-/m1/s1
C10H11N4O5S299.28372100
8147584

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7?,8-,10+/m0/s1
C10H12N4O5S300.29112100
976137

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8-,10-/m1/s1
C10H12N4O5S300.29112100
5342005

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/p-1/t7-,8-,10-/m1/s1
C10H11N4O5S299.28371100
13110321

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8?,10+/m1/s1
C10H12N4O5S300.29111100
98663291

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7?,8-,10?/m0/s1
C10H12N4O5S300.29111100
128924875

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8-,10+/m0/s1
C10H12N4O5S300.29111100
58785268

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1/i4D2,5D2
C10H8D4N4O5S304.31571100
78215843

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10?/m0/s1
C10H12N4O5S300.29111100

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