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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
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Found 24 results

Search term: IOWMKBFJCNLRTC (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
108790

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
C27H46O2402.65295280374
8311272

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25-,26+,27-/m1/s1
C27H46O2402.6529272400
16739195

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1
C27H46O2402.6529193700
26626774

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22?,23+,24+,25-,26+,27-/m1/s1
C27H46O2402.65296600
62882278

8 of 9 defined stereocentres - 8/9 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1/i1D3,2D3,17D
C27H39D7O2409.69616500
7826149

8 of 9 defined stereocentres - 8/9 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1/i1D3,2D3
C27H40D6O2408.68994400
17224319

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20?,21+,22-,23+,24+,25?,26+,27-/m1/s1
C27H46O2402.652932907
58824710

9 of 9 defined stereocentres - 9/9 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25-,26+,27-/m1/s1/i1+1,2+1,11+1,17+1,25+1
C2213C5H46O2407.61623300
107563311

7 of 9 defined stereocentres - 7/9 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20?,21+,22-,23+,24+,25?,26+,27-/m1/s1/i20D
C27H45DO2403.65912100
34998256

7 of 9 defined stereocentres - 7/9 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20?,21+,22-,23+,24+,25?,26+,27-/m1/s1/i12D2,14D2,16D2,20D
C27H39D7O2409.69612300
8354769

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21?,22-,23?,24?,25+,26+,27-/m1/s1
C27H46O2402.65292100
8084760

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21?,22?,23+,24+,25+,26+,27-/m1/s1
C27H46O2402.65292100
5042604

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18?,20-,21?,22?,23?,24?,25+,26-,27+/m0/s1
C27H46O2402.65292100
24850071

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21?,22-,23+,24+,25-,26+,27-/m1/s1
C27H46O2402.65291100
58782860

8 of 9 defined stereocentres - 8/9 defined

Non-standard isotope
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1/i11D2,17D,25D
C27H42D4O2406.67761100
114779323

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H46O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22-,23-,24-,25?,26-,27+/m0/s1
C27H46O2402.65291100
12

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