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 17 results

Search term: SXGSBXSSPNINRW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24603472

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9?/m1/s1
C9H17NO6235.2344262606
57621610

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8?,9?/m1/s1
C9H17NO6235.23446600
2887549

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)
C9H17NO6235.234385300
57425038

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6+,7-,8-,9?/m1/s1
C9H17NO6235.23442200
62300587

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6+,7+,8+,9-/m0/s1
C9H17NO6235.23442200
62300611

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8+,9+/m0/s1
C9H17NO6235.23442200
62479100

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6+,7-,8+,9-/m0/s1
C9H17NO6235.23442200
62480213

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9-/m1/s1
C9H17NO6235.23442200
62480419

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6+,7+,8-,9-/m0/s1
C9H17NO6235.23442200
65999524

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9?/m1/s1/i1D
C9H16DNO6236.24051100
68024338

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6?,7-,8-,9?/m0/s1
C9H17NO6235.23441100
107448683

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9?/m1/s1/i2D3
C9H14D3NO6238.25291100
57425584

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5?,6?,7-,8?,9?/m1/s1
C9H17NO6235.23441100
29786663

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5?,6?,7-,8?,9u/m1/s1
C9H17NO6235.23441100

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