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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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Isotopically Labeled
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Found 268 results

Search term: C21H22O9 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
14269

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1
C21H22O9418.39472974176
439855

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1
C21H22O9418.394676400
229922
InChI=1/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3
C21H22O9418.394656300
24534069

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14+,17-,19+,20-,21+/m1/s1
C21H22O9418.394639000
4477128

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
C21H22O9418.394626400
24845785
InChI=1/C21H22O9/c1-24-11-9-12(25-2)16(22)20-15(11)17(23)21(29-6)18(30-20)10-7-13(26-3)19(28-5)14(8-10)27-4/h7-9,22H,1-6H3
C21H22O9418.394392800
120189
InChI=1/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-18(26-3)14(22)13-15(23)19(27-4)21(29-6)20(28-5)17(13)30-16/h7-9,23H,1-6H3
C21H22O9418.394353900
8042387

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14?,17-,19+,20-,21+/m1/s1
C21H22O9418.394303100
52083498

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1
C21H22O9418.394272600
24534123

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H22O9/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/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1
C21H22O9418.394252500
28425482

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22O9/c22-9-15-17(24)18(25)19(26)21(30-15)29-13-3-1-2-11-8-14(28-20(27)16(11)13)10-4-6-12(23)7-5-10/h1-7,14-15,17-19,21-26H,8-9H2/t14?,15-,17-,18+,19-,21-/m1/s1
C21H22O9418.394242000
2341642

InChI=1/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-15(23)14(22)13-17(26-3)19(27-4)21(29-6)20(28-5)18(13)30-16/h7-9,23H,1-6H3
C21H22O9418.394243100
8517400

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,14,16,18-23,25-27H,8-9H2/t14?,16-,18-,19+,20-,21-/m1/s1
C21H22O9418.394191600
21378075
InChI=1/C21H22O9/c1-24-11-8-7-10(9-12(11)25-2)16-19(27-4)14(22)13-17(30-16)15(23)20(28-5)21(29-6)18(13)26-3/h7-9,23H,1-6H3
C21H22O9418.394181710
9559464
InChI=1/C21H22O9/c1-24-10-27-14-6-4-13(5-7-14)20-21(29-12-26-3)19(23)18-16(22)8-15(28-11-25-2)9-17(18)30-20/h4-9,22H,10-12H2,1-3H3
C21H22O9418.394161700
1159089
InChI=1/C21H22O9/c22-16-14(17(23)28-20(27-16)7-1-2-8-20)13(12-6-5-11-26-12)15-18(24)29-21(30-19(15)25)9-3-4-10-21/h5-6,11,13-15H,1-4,7-10H2
C21H22O9418.394161000
24675404

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-7,14,16,18-23,25-27H,8-9H2/t14-,16+,18+,19-,20+,21+/m0/s1
C21H22O9418.394141400
1789050
InChI=1/C21H22O9/c1-25-16-7-5-13(9-18(16)27-3)20(23)29-11-15(22)12-30-21(24)14-6-8-17(26-2)19(10-14)28-4/h5-10H,11-12H2,1-4H3
C21H22O9418.39413700
4947716

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H22O9/c22-10-15-17(24)18(25)19(26)21(30-15)29-13-8-12(16(20(27)28)14(23)9-13)7-6-11-4-2-1-3-5-11/h1-9,15,17-19,21-26H,10H2,(H,27,28)/b7-6+/t15-,17-,18+,19-,21-/m1/s1
C21H22O9418.394131000
24846220

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15?,17-,18-,19+,20-,21-/m1/s1
C21H22O9418.394127300
12345

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