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 8 results

Search term: FEMWMNCEGXUBRL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19980881

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21NO11S/c1-8-5-14(21)29-12-6-10(3-4-11(8)12)28-18-15(19-9(2)20)17(23)16(22)13(30-18)7-27-31(24,25)26/h3-6,13,15-18,22-23H,7H2,1-2H3,(H,19,20)(H,24,25,26)/t13-,15-,16-,17-,18-/m1/s1
C18H21NO11S459.42445600
111333

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H21NO11S/c1-8-5-14(21)29-12-6-10(3-4-11(8)12)28-18-15(19-9(2)20)17(23)16(22)13(30-18)7-27-31(24,25)26/h3-6,13,15-18,22-23H,7H2,1-2H3,(H,19,20)(H,24,25,26)/t13-,15-,16-,17-,18?/m1/s1
C18H21NO11S459.42444500
2602678

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C18H21NO11S/c1-8-5-14(21)29-12-6-10(3-4-11(8)12)28-18-15(19-9(2)20)17(23)16(22)13(30-18)7-27-31(24,25)26/h3-6,13,15-18,22-23H,7H2,1-2H3,(H,19,20)(H,24,25,26)
C18H21NO11S459.42443200
21470144

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21NO11S/c1-8-5-14(21)29-12-6-10(3-4-11(8)12)28-18-15(19-9(2)20)17(23)16(22)13(30-18)7-27-31(24,25)26/h3-6,13,15-18,22-23H,7H2,1-2H3,(H,19,20)(H,24,25,26)/t13-,15+,16+,17+,18-/m1/s1
C18H21NO11S459.42441100
57425947

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C18H21NO11S/c1-8-5-14(21)29-12-6-10(3-4-11(8)12)28-18-15(19-9(2)20)17(23)16(22)13(30-18)7-27-31(24,25)26/h3-6,13,15-18,22-23H,7H2,1-2H3,(H,19,20)(H,24,25,26)/t13?,15?,16-,17?,18+/m1/s1
C18H21NO11S459.42441100
71116719

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H21NO11S/c1-8-5-14(21)29-12-6-10(3-4-11(8)12)28-18-15(19-9(2)20)17(23)16(22)13(30-18)7-27-31(24,25)26/h3-6,13,15-18,22-23H,7H2,1-2H3,(H,19,20)(H,24,25,26)/t13?,15?,16-,17+,18+/m1/s1
C18H21NO11S459.42441100
114101239

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H21NO11S/c1-8-5-14(21)29-12-6-10(3-4-11(8)12)28-18-15(19-9(2)20)17(23)16(22)13(30-18)7-27-31(24,25)26/h3-6,13,15-18,22-23H,7H2,1-2H3,(H,19,20)(H,24,25,26)/t13-,15-,16-,17-,18-/m0/s1
C18H21NO11S459.42441100

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