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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 1224 results

Search term: C21H20O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
839564


Double-bond stereo
InChI=1/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
C21H20O6368.379916420024515292
4477409
InChI=1/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
C21H20O6368.3799726900
4476511
InChI=1/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3
C21H20O6368.37995664171
4445080


Double-bond stereo
InChI=1/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
C21H20O6368.3799515700
8104820
InChI=1/C21H20O6/c1-11(2)4-9-14-15(23)10-16(26-3)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
C21H20O6368.3799403600
24708350
InChI=1/C21H20O6/c1-21(2)9-8-13-15(27-21)10-14(22)16-17(23)18(24)19(26-20(13)16)11-4-6-12(25-3)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3
C21H20O6368.3799383600
488470
InChI=1/C21H20O6/c1-21(2)26-19(22)16(20(23)27-21)11-15-9-10-17(18(12-15)24-3)25-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
C21H20O6368.3799302100
4944792

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H20O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,8-10,15H,7,11-12H2,1-2H3/b16-8+/t15-/m0/s1
C21H20O6368.3799302400
2165709
InChI=1/C21H20O6/c1-14-20(21(23)25-11-10-24-2)17-12-16(8-9-19(17)27-14)26-13-18(22)15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3
C21H20O6368.3799291500
4479663
InChI=1/C21H20O6/c1-11(2)4-9-14-16(26-3)10-15(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(22)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
C21H20O6368.3799292700
850181
InChI=1/C21H20O6/c1-3-24-18(22)13-26-15-10-11-17-16(12-15)19(21(23)25-4-2)20(27-17)14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
C21H20O6368.3799291400
1001236
InChI=1/C21H20O6/c1-21(2,3)13-4-6-14(7-5-13)27-18-11-26-17-10-15(25-12-19(22)23)8-9-16(17)20(18)24/h4-11H,12H2,1-3H3,(H,22,23)
C21H20O6368.3799291600
1100489
InChI=1/C21H20O6/c1-11-7-16(25-10-13-9-18(20(22)23)26-12(13)2)19-14-5-3-4-6-15(14)21(24)27-17(19)8-11/h7-9H,3-6,10H2,1-2H3,(H,22,23)
C21H20O6368.3799291600
1107771
InChI=1/C21H20O6/c1-12-9-17(25-11-13-7-8-16(26-13)21(23)24-2)19-14-5-3-4-6-15(14)20(22)27-18(19)10-12/h7-10H,3-6,11H2,1-2H3
C21H20O6368.3799292000
855743
InChI=1/C21H20O6/c1-4-25-21(23)20-13(2)27-19-10-9-16(11-17(19)20)26-12-18(22)14-5-7-15(24-3)8-6-14/h5-11H,4,12H2,1-3H3
C21H20O6368.3799281600
998491
InChI=1/C21H20O6/c1-4-24-20(22)12-25-15-5-6-17-18(10-15)26-11-19(21(17)23)27-16-8-13(2)7-14(3)9-16/h5-11H,4,12H2,1-3H3
C21H20O6368.3799281600
1001158
InChI=1/C21H20O6/c1-21(2,3)20(23)27-15-9-10-16-17(11-15)25-12-18(19(16)22)26-14-7-5-13(24-4)6-8-14/h5-12H,1-4H3
C21H20O6368.3799281800
4558392
InChI=1/C21H20O6/c1-21(2,3)27-19(24)12-25-14-9-15(22)20-16(23)11-17(26-18(20)10-14)13-7-5-4-6-8-13/h4-11,22H,12H2,1-3H3
C21H20O6368.3799281600
1285300
InChI=1/C21H20O6/c1-13-6-4-5-7-16(13)20(22)27-15-8-9-18-17(12-15)19(14(2)26-18)21(23)25-11-10-24-3/h4-9,12H,10-11H2,1-3H3
C21H20O6368.3799271500
1100542
InChI=1/C21H20O6/c1-12-13(9-19(26-12)21(23)24-2)11-25-14-7-8-16-15-5-3-4-6-17(15)20(22)27-18(16)10-14/h7-10H,3-6,11H2,1-2H3
C21H20O6368.3799271600
12345

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