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 11 results

Search term: LSQGWMYMIHQKSA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4677904

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H36O8S2480.63577700
2339729

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/t13-,14+,15+,16+,17-,18+,19+,20+,21-/m1/s1
C21H36O8S2480.635743200
58163634

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/t13-,14+,15?,16+,17-,18+,19+,20+,21-/m1/s1
C21H36O8S2480.63572300
4302261

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)
C21H36O8S2480.635742100
58163635

Charge

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/p-2/t13-,14+,15?,16+,17-,18+,19+,20+,21-/m1/s1
C21H34O8S2478.6211100
58816956

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/t13-,14-,15-,16-,17+,18-,19-,20?,21?/m0/s1
C21H36O8S2480.63571100
128424222

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/t13-,14+,15-,16+,17-,18+,19+,20+,21-/m1/s1
C21H36O8S2480.63571100
4302260

Charge

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/p-2
C21H34O8S2478.619861100
20133388

Charge

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/p-2/t13?,14?,15?,16-,17+,18-,19-,20-,21+/m0/s1
C21H34O8S2478.6211100
58163614

Charge

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/p-2/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
C21H34O8S2478.6211100

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