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 9 results

Search term: KFUDFIMHDRJVLV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943170

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1-/t15-,17-,18-,19+,21+/m0/s1
C21H29ClO6S444.9694182040
4945847

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1-/t15-,17-,18-,19+,21+/m1/s1
C21H29ClO6S444.9694161700
4939526

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1+
C21H29ClO6S444.96946500
88298012

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1-/t15?,17-,18-,19+,21+/m0/s1
C21H29ClO6S444.96945400
5006983

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1+/t15-,17-,18-,19+,21+/m0/s1
C21H29ClO6S444.96943200
8224716

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1+/t15-,17+,18+,19-,21?/m1/s1
C21H29ClO6S444.96942100
20144693

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1-
C21H29ClO6S444.96941100
8131814

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H29ClO6S/c22-14-6-5-7-16(10-14)28-12-15(23)13-29-21-17(18(24)11-19(21)25)8-3-1-2-4-9-20(26)27/h1,3,5-7,10,15,17-19,21,23-25H,2,4,8-9,11-13H2,(H,26,27)/b3-1+/t15-,17-,18-,19+,21?/m0/s1
C21H29ClO6S444.96941100

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