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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 57 results

Search term: C23H22O13 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8181964

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1
C23H22O13506.413353900
71044174

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-32-14-3-8(4-15(33-2)17(14)26)12-7-11(25)16-10(24)5-9(6-13(16)35-12)34-23-20(29)18(27)19(28)21(36-23)22(30)31/h3-7,18-21,23-24,26-29H,1-2H3,(H,30,31)/t18-,19-,20+,21-,23+/m0/s1
C23H22O13506.41391100
2340083

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-30-9-4-7-12-13-8(33-21(28)14(12)19(9)32-3)5-10(31-2)20(15(13)22(29)34-7)36-23-18(27)17(26)16(25)11(6-24)35-23/h4-5,11,16-18,23-27H,6H2,1-3H3/t11-,16-,17+,18-,23+/m1/s1
C23H22O13506.412987600
9104502

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C23H22O13/c24-12-3-1-10(5-13(12)25)2-4-18(29)35-17-9-23(34,22(32)33)8-16(28)20(17)36-21(31)11-6-14(26)19(30)15(27)7-11/h1-7,16-17,20,24-28,30,34H,8-9H2,(H,32,33)/b4-2+/t16-,17-,20-,23+/m1/s1
C23H22O13506.4136600
24624244

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19+,20-,23+/m1/s1
C23H22O13506.4135600
9493081

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-13-16(27)19(30)21(32)23(36-13)35-12-6-11-14(17(28)15(12)26)18(29)20(31)22(34-11)9-2-4-10(25)5-3-9/h2-6,13,16,19,21,23,25-28,30-32H,7H2,1H3/t13-,16-,19+,21-,23-/m1/s1
C23H22O13506.4134300
139217

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-32-20-14(35-23-19(30)17(28)18(29)21(36-23)22(31)33-2)7-13-15(16(20)27)11(26)6-12(34-13)8-3-4-9(24)10(25)5-8/h3-7,17-19,21,23-25,27-30H,1-2H3/t17-,18-,19+,21-,23+/m0/s1
C23H22O13506.4134400
149781
InChI=1/2C8H6O4.C4H2O3.C3H8O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;5-3-1-2-4(6)7-3;1-3(5)2-4/h2*1-4H,(H,9,10)(H,11,12);1-2H;3-5H,2H2,1H3
C23H22O13506.412984400
62563460

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m0/s1
C23H22O13506.4133700
21522627

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15?,17-,19-,20?,23+/m1/s1
C23H22O13506.4133100
23340064

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-30-9-4-7-12-13-8(22(29)35-19(12)17(9)31-2)5-10(18(32-3)20(13)36-21(7)28)33-23-16(27)15(26)14(25)11(6-24)34-23/h4-5,11,14-16,23-27H,6H2,1-3H3/t11-,14-,15+,16-,23-/m1/s1
C23H22O13506.4133300
62449853

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19-,20+,23-/m0/s1
C23H22O13506.4132300
62449860

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19-,20+,23+/m1/s1
C23H22O13506.4132200
62472917

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19+,20-,23-/m0/s1
C23H22O13506.4132300
62472930

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19-,20-,23-/m0/s1
C23H22O13506.4132200
62490187

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20+,23+/m1/s1
C23H22O13506.4132200
62504739

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19-,20+,23-/m1/s1
C23H22O13506.4132200
62573689

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19+,20+,23+/m1/s1
C23H22O13506.4132300
62580308

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17+,19-,20-,23-/m1/s1
C23H22O13506.4132200
101935786

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C23H22O13/c1-32-14-3-8(4-15(33-2)17(14)26)12-7-11(25)16-10(24)5-9(6-13(16)35-12)34-23-20(29)18(27)19(28)21(36-23)22(30)31/h3-7,18-21,23-24,26-29H,1-2H3,(H,30,31)/t18-,19-,20+,21-,23?/m0/s1
C23H22O13506.4132200
123

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