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 7 results

Search term: SKZMVWBZTQNCKW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2342153

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C18H26O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h10,13-17H,2-9H2,1H3,(H,20,21,22)/t13-,14+,15+,16-,17-,18-/m0/s1
C18H26O5S354.46191100
58783121

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C18H26O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h10,13-17H,2-9H2,1H3,(H,20,21,22)/t13-,14+,15+,16-,17+,18-/m0/s1/i7D2,17D
C18H23D3O5S357.47952200
58784025

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C18H26O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h10,13-17H,2-9H2,1H3,(H,20,21,22)/t13-,14+,15+,16-,17?,18-/m0/s1
C18H26O5S354.4612300
78315591

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C18H26O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h10,13-17H,2-9H2,1H3,(H,20,21,22)/t13-,14+,15+,16-,17+,18-/m0/s1
C18H26O5S354.4611100
111312150

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C18H26O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h10,13-17H,2-9H2,1H3,(H,20,21,22)/t13-,14+,15+,16-,17+,18-/m1/s1/i7D2,17D
C18H23D3O5S357.47951100
111312212

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C18H26O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h10,13-17H,2-9H2,1H3,(H,20,21,22)/t13-,14+,15+,16-,17?,18-/m1/s1
C18H26O5S354.4611100
23254851

Charge

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C18H26O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h10,13-17H,2-9H2,1H3,(H,20,21,22)/p-1/t13-,14+,15+,16-,17-,18-/m0/s1
C18H25O5S353.45361100

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