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 4 results

Search term: LHBCRNFYROKJIT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3673432

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C20H27N3O9S/c1-19(2)29-13-14(30-19)16-18(32-20(3,4)31-16)28-15(13)17(25)22-9-12(24)23-10-5-7-11(8-6-10)33(21,26)27/h5-8,13-16,18H,9H2,1-4H3,(H,22,25)(H,23,24)(H2,21,26,27)
C20H27N3O9S485.508084100
62492057

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H27N3O9S/c1-19(2)29-13-14(30-19)16-18(32-20(3,4)31-16)28-15(13)17(25)22-9-12(24)23-10-5-7-11(8-6-10)33(21,26)27/h5-8,13-16,18H,9H2,1-4H3,(H,22,25)(H,23,24)(H2,21,26,27)/t13-,14+,15-,16+,18-/m1/s1
C20H27N3O9S485.50812200
62522307

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C20H27N3O9S/c1-19(2)29-13-14(30-19)16-18(32-20(3,4)31-16)28-15(13)17(25)22-9-12(24)23-10-5-7-11(8-6-10)33(21,26)27/h5-8,13-16,18H,9H2,1-4H3,(H,22,25)(H,23,24)(H2,21,26,27)/t13-,14+,15-,16+,18+/m1/s1
C20H27N3O9S485.50812200
78216363

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C20H27N3O9S/c1-19(2)29-13-14(30-19)16-18(32-20(3,4)31-16)28-15(13)17(25)22-9-12(24)23-10-5-7-11(8-6-10)33(21,26)27/h5-8,13-16,18H,9H2,1-4H3,(H,22,25)(H,23,24)(H2,21,26,27)/t13-,14+,15?,16-,18-/m1/s1
C20H27N3O9S485.50811100

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