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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 41 results

Search term: QOXPZVASXWSKKU (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446722

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1
C28H46O398.66424312900
4477825

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+
C28H46O398.664282900
4943124

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21?,22?,24+,25-,26-,27-,28+/m0/s1
C28H46O398.66427900
20119995

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21?,22-,24+,25-,26-,27-,28+/m0/s1
C28H46O398.6642611311
4446761

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20-,21+,22+,24-,25+,26+,27+,28-/m1/s1
C28H46O398.6642400000016500
4513349

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7-
C28H46O398.66424500
57576690

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1
C28H46O398.66424300
4934065

Double-bond stereo

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19?,20?,21-,22-,24?,25?,26?,27?,28?/m0/s1
C28H46O398.66423300
278130

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3
C28H46O398.66423200
4475698

Double-bond stereo

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19?,20?,21?,22-,24+,25?,26?,27-,28+/m0/s1
C28H46O398.66422200
22889311

Double-bond stereo

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21?,22?,24?,25?,26?,27+,28?/m0/s1
C28H46O398.66422100
9265774

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7-/t19?,20-,21-,22+,24-,25+,26+,27+,28-/m1/s1
C28H46O398.66422100
9764142

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24+,25?,26-,27-,28+/m0/s1
C28H46O398.66422100
62647657

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24-,25-,26+,27+,28+/m0/s1
C28H46O398.66422200
62647658

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24+,25-,26+,27+,28+/m0/s1
C28H46O398.66422200
62647659

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24-,25+,26+,27+,28+/m0/s1
C28H46O398.66422200
62647661

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22+,24-,25-,26+,27-,28+/m0/s1
C28H46O398.66422200
62647662

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22+,24+,25-,26+,27-,28+/m0/s1
C28H46O398.66422200
62647663

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22+,24-,25+,26+,27-,28+/m0/s1
C28H46O398.66422200
62647665

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21+,22-,24+,25+,26+,27-,28+/m0/s1
C28H46O398.66422200
123

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