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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 176 results

Search term: C22H24N2O9 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10482174

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/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
C22H24N2O9460.434881943332203
21493812

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/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14-,17+,21-,22+/m1/s1
C22H24N2O9460.434284600
10444496

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/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)
C22H24N2O9460.43423232700
21112368

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/h4-6,12-14,17,25-28,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
C22H24N2O9460.434161242
30783176

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H24N2O9/c1-12(25)23-18-19(26)20-17(11-30-21(33-20)13-3-7-15(29-2)8-4-13)32-22(18)31-16-9-5-14(6-10-16)24(27)28/h3-10,17-22,26H,11H2,1-2H3,(H,23,25)/t17-,18-,19-,20+,21?,22+/m1/s1
C22H24N2O9460.434161600
57267507

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/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22+/m1/s1
C22H24N2O9460.434161800
2899806
InChI=1/C22H24N2O9/c1-3-30-18-6-5-14(9-19(18)31-4-2)22(26)23-10-20(25)32-12-16-8-17(24(27)28)7-15-11-29-13-33-21(15)16/h5-9H,3-4,10-13H2,1-2H3,(H,23,26)
C22H24N2O9460.4339614900
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
C22H24N2O9460.43413183330264
3831934
InChI=1/C22H24N2O9/c1-29-16-9-14(10-17(30-2)20(16)31-3)21(27)23-11-19(26)33-12-18(25)24-15-7-5-13(6-8-15)22(28)32-4/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,25)
C22H24N2O9460.43412900
4028213

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H24N2O9/c1-31-21(29)12-7-8-15(22(30)32-2)16(9-12)23-17(25)11-33-18(26)10-24-19(27)13-5-3-4-6-14(13)20(24)28/h7-9,13-14H,3-6,10-11H2,1-2H3,(H,23,25)
C22H24N2O9460.4339611800
3126792

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H24N2O9/c1-31-21(29)12-7-13(22(30)32-2)9-14(8-12)23-17(25)11-33-18(26)10-24-19(27)15-5-3-4-6-16(15)20(24)28/h7-9,15-16H,3-6,10-11H2,1-2H3,(H,23,25)
C22H24N2O9460.43411700
2343044

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H24N2O9/c1-10-16(21(26)30-3)18(12-6-4-5-7-13(12)24(28)29)17(11(2)23-10)22(27)33-15-9-32-19-14(25)8-31-20(15)19/h4-7,14-15,18-20,23,25H,8-9H2,1-3H3/t14-,15+,18?,19+,20+/m0/s1
C22H24N2O9460.43396101200
10874470

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H24N2O9/c1-12(2)18(24-19(26)16-6-5-9-32-16)22(29)33-11-17(25)23-15-10-13(20(27)30-3)7-8-14(15)21(28)31-4/h5-10,12,18H,11H2,1-4H3,(H,23,25)(H,24,26)/t18-/m0/s1
C22H24N2O9460.4349800
11018195
InChI=1/C22H24N2O9/c1-4-31-22(28)24-20(26)13-33-21(27)14-9-10-17(18(11-14)30-3)32-12-19(25)23-15-7-5-6-8-16(15)29-2/h5-11H,4,12-13H2,1-3H3,(H,23,25)(H,24,26,28)
C22H24N2O9460.4349700
22845095

Double-bond stereo
InChI=1/C22H24N2O9/c1-13(14-5-6-16-17(7-14)32-12-31-16)24-33-11-21(26)30-10-20(25)23-15-8-18(27-2)22(29-4)19(9-15)28-3/h5-9H,10-12H2,1-4H3,(H,23,25)/b24-13+
C22H24N2O9460.4348300
3438307

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H24N2O9/c1-12-10-23(19-9-17(32-14(3)26)18(33-19)11-31-13(2)25)22(29)24(20(12)27)21(28)15-5-7-16(30-4)8-6-15/h5-8,10,17-19H,9,11H2,1-4H3
C22H24N2O9460.433968200
132323

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H24N2O9/c1-10(25)23-14-6-3-12(4-7-14)13-5-8-15(24-11(2)26)16(9-13)32-22-19(29)17(27)18(28)20(33-22)21(30)31/h3-9,17-20,22,27-29H,1-2H3,(H,23,25)(H,24,26)(H,30,31)/t17-,18-,19+,20-,22+/m0/s1
C22H24N2O9460.4346500
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-
C22H24N2O9460.4346400
58172529

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/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14-,17+,21-,22+/m1/s1
C22H24N2O9460.4345200
26374780

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/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14+,17+,21-,22-/m1/s1
C22H24N2O9460.4344300
12345

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