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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 1875 results

Search term: C21H27NO (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2947

InChI=1/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2
C21H27NO309.445283139621055
3953

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
C21H27NO309.4452825778902294
2236

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3
C21H27NO309.44525669180
9791292

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m0/s1
C21H27NO309.4452423400
124830

Double-bond stereo
InChI=1/C21H27NO/c1-3-5-7-18-8-12-20(13-9-18)22-17-19-10-14-21(15-11-19)23-16-6-4-2/h8-15,17H,3-7,16H2,1-2H3/b22-17+
C21H27NO309.4452383200
2287290

InChI=1/C21H27NO/c1-20(2)16-10-5-7-12-18(16)21(23,14-9-15-22(3)4)19-13-8-6-11-17(19)20/h5-8,10-13,23H,9,14-15H2,1-4H3
C21H27NO309.44518352900
517359

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H27NO/c1-15(2)14-18-10-12-19(13-11-18)16(3)21(23)22-17(4)20-8-6-5-7-9-20/h5-13,15-17H,14H2,1-4H3,(H,22,23)
C21H27NO309.4452344300
1203

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27NO/c1-2-14-22(15-13-17-7-4-3-5-8-17)19-11-12-20-18(16-19)9-6-10-21(20)23/h3-10,19,23H,2,11-16H2,1H3
C21H27NO309.4452323400
9675

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
C21H27NO309.4452324759
20904

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m1/s1
C21H27NO309.445229318915163
1108918

InChI=1/C21H27NO/c1-6-15-9-8-10-16(7-2)19(15)22-20(23)17-11-13-18(14-12-17)21(3,4)5/h8-14H,6-7H2,1-5H3,(H,22,23)
C21H27NO309.4452282000
559067

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3/t17-/m0/s1
C21H27NO309.44522740891383
545518
InChI=1/C21H27NO/c1-2-22-19-13-12-16(15-8-4-3-5-9-15)14-18(19)17-10-6-7-11-20(23)21(17)22/h12-15H,2-11H2,1H3
C21H27NO309.4452261700
2122487

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H27NO/c1-20(2)10-16-11-21(3,13-20)14-22(16)12-18-17-7-5-4-6-15(17)8-9-19(18)23/h4-9,16,23H,10-14H2,1-3H3
C21H27NO309.44518251700
1043200
InChI=1/C21H27NO/c1-15(2)17-8-6-16(7-9-17)14-22-20(23)18-10-12-19(13-11-18)21(3,4)5/h6-13,15H,14H2,1-5H3,(H,22,23)
C21H27NO309.4452241500
3112855

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27NO/c1-16(2)8-7-9-17(3)22-21(23)20-14-12-19(13-15-20)18-10-5-4-6-11-18/h4-6,10-17H,7-9H2,1-3H3,(H,22,23)
C21H27NO309.4452231400
4308574

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27NO/c1-6-23-17-10-8-16(9-11-17)21(5)14-20(3,4)22-19-12-7-15(2)13-18(19)21/h7-13,22H,6,14H2,1-5H3
C21H27NO309.44518221400
22905979

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H27NO/c1-14-8-15(2)11-18(10-14)21(23,20-6-5-7-22-20)19-12-16(3)9-17(4)13-19/h8-13,20,22-23H,5-7H2,1-4H3/t20-/m1/s1
C21H27NO309.4452221900
1098755
InChI=1/C21H27NO/c1-16(2)22(15-17-9-7-6-8-10-17)20(23)18-11-13-19(14-12-18)21(3,4)5/h6-14,16H,15H2,1-5H3
C21H27NO309.4452221600
2126244
InChI=1/C21H27NO/c1-21(2,3)19-14-12-18(13-15-19)20(23)22-16-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,12-15H,7-8,11,16H2,1-3H3,(H,22,23)
C21H27NO309.44518221700
12345

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