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: WAQBISPOEAOCOG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
106493

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1
C19H28O5S368.4876235300
19979647

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/p-1/t14-,15-,16-,17-,18-,19-/m0/s1
C19H27O5S367.48024500
59693695

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15?,16?,17-,18-,19-/m0/s1
C19H28O5S368.48764300
3294254

Charge

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/p-1
C19H27O5S367.48022700
3294255

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)
C19H28O5S368.48762100
8243163

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14?,15?,16?,17-,18+,19+/m1/s1
C19H28O5S368.48762100
113385570

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17+,18-,19-/m0/s1
C19H28O5S368.48761100
23254777

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/p-1/t14-,15-,16-,17+,18-,19-/m0/s1
C19H27O5S367.48021100

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