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 8 results

Search term: SWQQELWGJDXCFT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
399153

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H13N3O5/c1-2-5-7(10(12)18)13-4-14(5)11-9(17)8(16)6(3-15)19-11/h1,4,6,8-9,11,15-17H,3H2,(H2,12,18)/t6-,8-,9-,11-/m1/s1
C11H13N3O5267.238122200
19980365

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H13N3O5/c1-2-5-7(10(12)18)13-4-14(5)11-9(17)8(16)6(3-15)19-11/h1,4,6,8-9,11,15-17H,3H2,(H2,12,18)/t6-,8-,9-,11?/m1/s1
C11H13N3O5267.2386600
109356

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C11H13N3O5/c1-2-5-7(10(12)18)13-4-14(5)11-9(17)8(16)6(3-15)19-11/h1,4,6,8-9,11,15-17H,3H2,(H2,12,18)
C11H13N3O5267.2382200
8763319

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H13N3O5/c1-2-5-7(10(12)18)13-4-14(5)11-9(17)8(16)6(3-15)19-11/h1,4,6,8-9,11,15-17H,3H2,(H2,12,18)/t6-,8-,9-,11-/m1/s1/i4D
C11H12DN3O5268.24422200
8977203

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H13N3O5/c1-2-5-7(10(12)18)13-4-14(5)11-9(17)8(16)6(3-15)19-11/h1,4,6,8-9,11,15-17H,3H2,(H2,12,18)/t6-,8-,9-,11-/m1/s1/i3T/t3?,6-,8-,9-,11-
C11H12TN3O5269.24612200
8977204

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C11H13N3O5/c1-2-5-7(10(12)18)13-4-14(5)11-9(17)8(16)6(3-15)19-11/h1,4,6,8-9,11,15-17H,3H2,(H2,12,18)/t6-,8-,9-,11-/m1/s1/i4T
C11H12TN3O5269.24612200
9869364

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H13N3O5/c1-2-5-7(10(12)18)13-4-14(5)11-9(17)8(16)6(3-15)19-11/h1,4,6,8-9,11,15-17H,3H2,(H2,12,18)/t6-,8-,9-,11+/m1/s1
C11H13N3O5267.2382100
98608861

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H13N3O5/c1-2-5-7(10(12)18)13-4-14(5)11-9(17)8(16)6(3-15)19-11/h1,4,6,8-9,11,15-17H,3H2,(H2,12,18)/t6-,8+,9?,11-/m1/s1
C11H13N3O5267.2381100

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