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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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Found 1279 results

Search term: C21H22O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
555077

Double-bond stereo
InChI=1/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
C21H22O5354.396410813916518
4478370

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
C21H22O5354.3964656500
447736

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
C21H22O5354.3964559300
421861
InChI=1/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3
C21H22O5354.3964433800
1155046

Double-bond stereo
InChI=1/C21H22O5/c1-23-18-11-7-15(13-20(18)25-3)5-9-17(22)10-6-16-8-12-19(24-2)21(14-16)26-4/h5-14H,1-4H3/b9-5+,10-6+
C21H22O5354.3964403410
1244605
InChI=1/C21H22O5/c1-5-26-20-11-14-6-8-15(21(22)16(14)12-19(20)25-4)13-7-9-17(23-2)18(10-13)24-3/h6-12,22H,5H2,1-4H3
C21H22O5354.3964403100
112441

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1
C21H22O5354.3964373100
8219258
InChI=1/C21H22O5/c1-13(2)7-10-23-18-15-5-6-17(22)26-20(15)21(25-11-8-14(3)4)19-16(18)9-12-24-19/h5-9,12H,10-11H2,1-4H3
C21H22O5354.3964373500
13668886
InChI=1/C21H22O5/c1-3-24-20(22)19(21(23)25-4-2)14-16-10-12-18(13-11-16)26-15-17-8-6-5-7-9-17/h5-14H,3-4,15H2,1-2H3
C21H22O5354.3964362500
28424410

Double-bond stereo
InChI=1/C21H22O5/c1-14(5-4-10-21(2,3)23)8-11-25-20-18-16(9-12-24-18)13-15-6-7-17(22)26-19(15)20/h4,6-10,12-13,23H,5,11H2,1-3H3/b10-4+,14-8+
C21H22O5354.3964362600
8648722

Double-bond stereo
InChI=1/C21H22O5/c1-13(2)4-5-15-12-16(8-10-18(15)23)17(22)9-6-14-7-11-19(24)20(25)21(14)26-3/h4,6-12,23-25H,5H2,1-3H3/b9-6+
C21H22O5354.3964353600
8104156

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3/t18-/m0/s1
C21H22O5354.3964353800
4445128

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22O5/c1-5-6-16-12-21(24-4,20(23-3)11-17(16)22)14(2)9-15-7-8-18-19(10-15)26-13-25-18/h5,7-12H,1,6,13H2,2-4H3/b14-9+
C21H22O5354.39638353500
8122237

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8+
C21H22O5354.3964282500
421859
InChI=1/C21H22O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7-10,22-24H,6,11H2,1-3H3
C21H22O5354.3964282700
912508

InChI=1/C21H22O5/c1-24-15-10-9-12(11-18(15)25-2)19-20-13(22)5-3-7-16(20)26-17-8-4-6-14(23)21(17)19/h9-11,19H,3-8H2,1-2H3
C21H22O5354.3964271800
1132993

Double-bond stereo
InChI=1/C21H22O5/c1-23-18-11-7-15(20(13-18)25-3)5-9-17(22)10-6-16-8-12-19(24-2)14-21(16)26-4/h5-14H,1-4H3/b9-5+,10-6+
C21H22O5354.3964261800
1285332
InChI=1/C21H22O5/c1-14-6-4-5-7-16(14)13-25-17-8-9-19-18(12-17)20(15(2)26-19)21(22)24-11-10-23-3/h4-9,12H,10-11,13H2,1-3H3
C21H22O5354.3964261400
421915

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22O5/c1-11(2)4-5-14-16(23)7-6-13-15-10-25-18-9-12(22)8-17(24-3)19(18)21(15)26-20(13)14/h4,6-9,15,21-23H,5,10H2,1-3H3/t15-,21+/m0/s1
C21H22O5354.3964242100
1525489
InChI=1/C21H22O5/c1-14-4-6-16(7-5-14)13-25-17-8-9-19-18(12-17)20(15(2)26-19)21(22)24-11-10-23-3/h4-9,12H,10-11,13H2,1-3H3
C21H22O5354.3964231300
12345

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