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 5 results

Search term: RLSOPXMBRGJTNT (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2161598

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H27NO5S/c1-10(2)27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(9-11)16(15)20(24)25/h10-12,15-16H,3-9H2,1-2H3,(H,22,23)(H,24,25)
C21H27NO5S405.50778191100
10069201

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27NO5S/c1-10(2)27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(9-11)16(15)20(24)25/h10-12,15-16H,3-9H2,1-2H3,(H,22,23)(H,24,25)/t11-,12+,15-,16+/m1/s1
C21H27NO5S405.50782100
10069203

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27NO5S/c1-10(2)27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(9-11)16(15)20(24)25/h10-12,15-16H,3-9H2,1-2H3,(H,22,23)(H,24,25)/t11-,12+,15+,16+/m1/s1
C21H27NO5S405.50782100
10069202

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27NO5S/c1-10(2)27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(9-11)16(15)20(24)25/h10-12,15-16H,3-9H2,1-2H3,(H,22,23)(H,24,25)/p-1/t11-,12-,15+,16+/m1/s1
C21H26NO5S404.50041100
10069200

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27NO5S/c1-10(2)27-21(26)17-13-5-3-4-6-14(13)28-19(17)22-18(23)15-11-7-8-12(9-11)16(15)20(24)25/h10-12,15-16H,3-9H2,1-2H3,(H,22,23)(H,24,25)/p-1/t11-,12-,15-,16+/m1/s1
C21H26NO5S404.50041100

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