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 15 results

Search term: XCNVFDDRUPMRPU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5730860

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12+/m1/s1
C12H17NO5S287.3321333000
26324526

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11-,12+/m1/s1
C12H17NO5S287.3321292100
28468687

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10+,11+,12+/m1/s1
C12H17NO5S287.3321231500
3398785

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2
C12H17NO5S287.332089500
24540337

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10+,11+,12+/m1/s1
C12H17NO5S287.33214100
18516904

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10+,11-,12?/m1/s1
C12H17NO5S287.33214200
24540338

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10+,11-,12+/m1/s1
C12H17NO5S287.33213100
58781987

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10+,11?,12+/m1/s1
C12H17NO5S287.33213300
62571612

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10-,11+,12-/m0/s1
C12H17NO5S287.33212200
62571791

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8-,9+,10-,11-,12+/m1/s1
C12H17NO5S287.33212300
32696376

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10+,11+,12-/m0/s1
C12H17NO5S287.33212100
21211025

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8-,9-,10-,11-,12+/m0/s1
C12H17NO5S287.33211200
21436027

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10+,11?,12-/m0/s1
C12H17NO5S287.33211100
29787157

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10?,11?,12-/m0/s1
C12H17NO5S287.33211100
29787158

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C12H17NO5S/c13-6-1-3-7(4-2-6)19-12-11(17)10(16)9(15)8(5-14)18-12/h1-4,8-12,14-17H,5,13H2/t8?,9-,10?,11?,12+/m1/s1
C12H17NO5S287.33211200

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