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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 31 results

Search term: FYDOORKXBWEKQM (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444458

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11-/t12-,13-,14+,17+,21-,22+/m1/s1
C22H24N2O9460.43413153330264
4510241

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11-
C22H24N2O9460.4346100
4445380

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11+/t12-,13-,14+,17+,21-,22+/m1/s1
C22H24N2O9460.433964200
4932196

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11+/t12?,13?,14-,17?,21-,22+/m1/s1
C22H24N2O9460.4343100
5022869

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11+/t12?,13-,14+,17+,21-,22+/m1/s1
C22H24N2O9460.4342100
5408917

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/t12-,13-,14+,17-,21+,22-/m1/s1
C22H24N2O9460.4342100
5408919

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/t12-,13-,14+,17-,21-,22-/m1/s1
C22H24N2O9460.4342100
5408921

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/t12-,13-,14+,17-,21+,22+/m1/s1
C22H24N2O9460.4342100
5408923

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/t12-,13-,14+,17-,21-,22+/m1/s1
C22H24N2O9460.4342100
4508493

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11+
C22H24N2O9460.4342500
4484

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3
C22H24N2O9460.4342100
6354

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/t12-,13-,14+,17+,21-,22+/m1/s1
C22H24N2O9460.4342100
2006678

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/t12-,13-,14-,17+,21-,22+/m1/s1
C22H24N2O9460.433962100
4895563

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11-/t12-,13-,14-,17+,21-,22+/m1/s1
C22H24N2O9460.4342200
4932150

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11+/t12?,13?,14-,17?,21+,22-/m0/s1
C22H24N2O9460.4342100
8067704

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11-/t12-,13-,14+,17+,21?,22+/m1/s1
C22H24N2O9460.4341100
10145965

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11+/t12-,13-,14+,17+,21-,22-/m1/s1
C22H24N2O9460.4341100
17340837

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11-/t12?,13?,14-,17?,21+,22-/m0/s1
C22H24N2O9460.4341100
110805014

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3/b20-11-/t12-,13-,14+,17+,21+,22-/m1/s1
C22H24N2O9460.4341100
12

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