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 9 results

Search term: IXEVGHXRXDBAOB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7969

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3
C13H19NO2S253.3605222600
2496770

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10-,13+/m0/s1
C13H19NO2S253.360512900
19952855

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10-,13+/m1/s1
C13H19NO2S253.3605101100
191330

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10+,13-/m1/s1
C13H19NO2S253.36059900
5143373

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10-,13-/m1/s1
C13H19NO2S253.36055400
191324

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9-,10+,13+/m0/s1
C13H19NO2S253.36054200
4937216

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9?,10-,13?/m0/s1
C13H19NO2S253.36053400
9951729

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9?,10-,13?/m1/s1
C13H19NO2S253.36053200

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