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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
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Single/Multi-component
Isotopically Labeled
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Found 186 results

Search term: C21H24O9 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
552853


Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
C21H24O9420.409991852832
4445032

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
C21H24O9420.40986383700
23926463

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H24O9/c1-28-15-5-4-11(2-3-12-6-13(23)9-14(24)7-12)8-16(15)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
C21H24O9420.4099232100
8540262

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-3-1-2-13(24)17(15)14(25)9-6-11-4-7-12(23)8-5-11/h1-5,7-8,16,18-24,26-28H,6,9-10H2/t16-,18-,19+,20-,21-/m1/s1
C21H24O9420.4099151020
140079

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H24O9/c1-7-12(23)6-10-4-9-5-11(21(30-3)20(29)16(25)8(2)22)17(26)19(28)14(9)18(27)13(10)15(7)24/h4,6,8,11,16-17,21-27H,5H2,1-3H3/t8-,11-,16+,17+,21+/m1/s1
C21H24O9420.4099152600
2591011

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H24O9/c1-28-12-4-2-11(3-5-12)8-15(23)14-7-6-13(9-16(14)24)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-7,9,17-22,24-27H,8,10H2,1H3
C21H24O9420.409911500
357559

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C21H24O9/c1-8-14(22)20-15(23)10-6-5-7-11(27-3)12(10)17(28-4)21(20,30-20)18(25)19(8,26)16(24)13-9(2)29-13/h5-9,13-14,17-18,22,25-26H,1-4H3/t8-,9-,13+,14+,17-,18-,19+,20+,21+/m0/s1
C21H24O9420.409910800
390853

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H24O9/c1-10-18(26)19(27)20(28)21(29-10)30-16-9-13(23)8-15(25)17(16)14(24)7-4-11-2-5-12(22)6-3-11/h2-3,5-6,8-10,18-23,25-28H,4,7H2,1H3/t10-,18-,19+,20+,21-/m0/s1
C21H24O9420.4099101000
21230139
InChI=1/C21H24O9/c1-5-15(22)27-11-20(12-28-16(23)6-2)9-10-21(19(20)26,13-29-17(24)7-3)14-30-18(25)8-4/h5-8H,1-4,9-14H2
C21H24O9420.409991000
22913127

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H24O9/c1-28-16-8-11(2-3-12-6-13(23)9-14(24)7-12)4-5-15(16)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
C21H24O9420.40998700
22913180

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H24O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-2,4-7,9,17-23,25-28H,3,8,10H2/t17-,18+,19+,20-,21-/m1/s1
C21H24O9420.40998500
2035543

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H24O9/c1-7-12(23)6-10-4-9-5-11(21(30-3)20(29)16(25)8(2)22)17(26)19(28)14(9)18(27)13(10)15(7)24/h4,6,8,11,16-17,21-27H,5H2,1-3H3
C21H24O9420.409868900
4444818

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H24O9/c1-8-6-12-14(9(2)18(23)28-12)17(29-20(25)21(4)10(3)30-21)15(22)11(19(24)26-5)7-13-16(8)27-13/h6-7,10,12-17,22H,2H2,1,3-5H3/b8-6+,11-7+/t10-,12-,13-,14+,15+,16+,17+,21-/m1/s1
C21H24O9420.4098688219
90606598

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C21H24O9/c1-8-14(22)20-15(23)10-6-5-7-11(27-3)12(10)17(28-4)21(20,30-20)18(25)19(8,26)16(24)13-9(2)29-13/h5-9,13-14,17-18,22,25-26H,1-4H3/t8-,9-,13+,14+,17-,18-,19+,20?,21?/m0/s1
C21H24O9420.40998800
29814253

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H24O9/c1-11(25-2)7-16-20(28-5)19(23)14(10-30-16)18(22)17-13(21(24)29-6)8-12(26-3)9-15(17)27-4/h8-11H,7H2,1-6H3
C21H24O9420.40997500
28684744
InChI=1/C21H24O9/c1-4-25-7-10-28-19(22)16-13-17(20(23)29-11-8-26-5-2)15-18(14-16)21(24)30-12-9-27-6-3/h4-6,13-15H,1-3,7-12H2
C21H24O9420.40997600
29273169

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-9-12(23)8-14(25)17(15)13(24)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-23,25-28H,6-7,10H2/t16-,18-,19+,20-,21-/m1/s1
C21H24O9420.40996600
4508226

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+
C21H24O9420.40996900
3606964

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-3-1-2-13(24)17(15)14(25)9-6-11-4-7-12(23)8-5-11/h1-5,7-8,16,18-24,26-28H,6,9-10H2
C21H24O9420.409866300
153562
InChI=1/C8H4O3.C7H6O2.C6H14O4/c9-7-5-3-1-2-4-6(5)8(10)11-7;8-7(9)6-4-2-1-3-5-6;7-1-3-9-5-6-10-4-2-8/h1-4H;1-5H,(H,8,9);7-8H,1-6H2
C21H24O9420.409866600
12345

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