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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 22 results

Search term: WKZUQOQLOHMCQC (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444450

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13-/t7-,8-,15-,21-,22-/m0/s1
C22H23ClN2O8478.87962109959
4450241

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13+/t7-,8-,15-,21-,22-/m0/s1
C22H23ClN2O8478.879623200
2630

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3
C22H23ClN2O8478.87963100
22112

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/t7-,8-,15-,21-,22-/m0/s1
C22H23ClN2O8478.87963100
4519328

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13+
C22H23ClN2O8478.8796314400
4932152

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13+/t7?,8?,15-,21-,22-/m0/s1
C22H23ClN2O8478.87963200
5417042

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/t7-,8+,15+,21+,22+/m1/s1
C22H23ClN2O8478.87962100
4678029

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13-/t7?,8?,15-,21-,22-/m0/s1
C22H23ClN2O8478.87962200
2006801

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/t7-,8-,15+,21-,22-/m0/s1
C22H23ClN2O8478.879622100
4510119

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13-
C22H23ClN2O8478.87962200
4514241

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13-/t7?,8-,15-,21-,22-/m0/s1
C22H23ClN2O8478.87962200
4588146

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13-/t7-,8-,15?,21-,22-/m0/s1
C22H23ClN2O8478.87961100
4590860

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13-/t7-,8-,15-,21+,22-/m0/s1
C22H23ClN2O8478.87961100
5496254

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/p+1/t7-,8-,15+,21-,22-/m0/s1
C22H24ClN2O8479.8871100
114390078

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/t7-,8-,15+,21-,22-/m1/s1
C22H23ClN2O8478.87961100
5036493

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13+/t7-,8-,15-,21+,22+/m0/s1
C22H23ClN2O8478.87961100
5288346

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/b20-13-/t7-,8-,15+,21-,22-/m0/s1
C22H23ClN2O8478.879621100
5408857

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/p+1/t7-,8-,15-,21-,22-/m0/s1
C22H24ClN2O8479.8871100
5417041

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26-27,31-33H,6,24H2,1-3H3/p+1/t7-,8+,15+,21+,22+/m1/s1
C22H24ClN2O8479.8871100
12

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