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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 17 results

Search term: KXILCRGOVVVVRF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9907460

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17-/t19-,21+,23-,24+,25+,26+,27+,28+/m0/s1
C28H46O3430.66310600
4523427

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17+
C28H46O3430.6633400
9986717

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17-/t19-,21+,23-,24+,25?,26+,27+,28+/m0/s1
C28H46O3430.6632100
62320725

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17-/t19-,21+,23+,24+,25+,26+,27+,28+/m0/s1
C28H46O3430.6632200
62320729

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17-/t19-,21-,23+,24+,25+,26+,27-,28+/m0/s1
C28H46O3430.6632200
62320730

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17-/t19-,21+,23-,24-,25-,26-,27+,28-/m1/s1
C28H46O3430.6632200
62682456

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17-/t19-,21+,23+,24+,25-,26+,27+,28+/m0/s1
C28H46O3430.6632200
78076531

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17-/t19-,21+,23-,24+,25+,26+,27+,28+/m1/s1
C28H46O3430.6631100
111309479

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17+/t19-,21+,23+,24-,25-,26+,27-,28-/m0/s1
C28H46O3430.6631100
113618526

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17+/t19-,21+,23+,24-,25-,26+,27-,28-/m1/s1
C28H46O3430.6631100
29788060

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17+/t19-,21?,23?,24?,25?,26+,27-,28-/m1/s1
C28H46O3430.6631100
57497924

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H46O3/c1-18(2)19(3)8-9-21(5)24-12-13-25-27(24,6)14-7-15-28(25,31)26(30)17-22-16-23(29)11-10-20(22)4/h8-9,17-19,21,23-26,29-31H,4,7,10-16H2,1-3,5-6H3/b9-8+,22-17-
C28H46O3430.6631100

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