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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 215 results

Search term: C27H22O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17468069

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H22O5/c1-17-20(13-19-7-3-4-9-24(19)31-17)14-26-27(28)23-11-10-22(15-25(23)32-26)30-16-18-6-5-8-21(12-18)29-2/h3-15,17H,16H2,1-2H3/b26-14-
C27H22O5426.460616900
17468217

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H22O5/c1-17-20(13-19-5-3-4-6-24(19)31-17)14-26-27(28)23-12-11-22(15-25(23)32-26)30-16-18-7-9-21(29-2)10-8-18/h3-15,17H,16H2,1-2H3/b26-14-
C27H22O5426.460616900
17467374

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H22O5/c1-17-20(13-18-7-3-6-10-24(18)31-17)14-26-27(28)22-12-11-21(15-25(22)32-26)30-16-19-8-4-5-9-23(19)29-2/h3-15,17H,16H2,1-2H3/b26-14-
C27H22O5426.460615800
1389029

Double-bond stereo
InChI=1/C27H22O5/c1-17-26-23(28)15-21(20-10-12-22(30-3)13-11-20)16-24(27(26)18(2)31-17)32-25(29)14-9-19-7-5-4-6-8-19/h4-16H,1-3H3/b14-9+
C27H22O5426.4606151100
30717365

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H22O5/c1-15(2)16-3-5-17(6-4-16)21-13-24(29)32-23-12-11-20-26(30)22(14-31-27(20)25(21)23)18-7-9-19(28)10-8-18/h3-12,14-15,21,28H,13H2,1-2H3
C27H22O5426.46069800
35146657

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H22O5/c1-16(2)31-19-10-8-18(9-11-19)21-14-24(28)32-23-13-12-20-26(29)22(15-30-27(20)25(21)23)17-6-4-3-5-7-17/h3-13,15-16,21H,14H2,1-2H3
C27H22O5426.46067600
437601

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H22O5/c1-29-17-10-11-18-24(12-17)31-15-21-20-13-22(28)25-19(27(20)32-26(18)21)8-5-9-23(25)30-14-16-6-3-2-4-7-16/h2-13,21,26,28H,14-15H2,1H3
C27H22O5426.46067600
13088074

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H22O5/c1-29-21-14-8-16-23(31-18-10-4-3-5-11-18)25(21)27(28)19-12-6-7-13-20(19)32-24-17-9-15-22(30-2)26(24)27/h3-17,28H,1-2H3
C27H22O5426.46066500
337735

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H22O5/c1-29-17-10-11-18-24(12-17)31-15-21-20-13-22(28)25-19(27(20)32-26(18)21)8-5-9-23(25)30-14-16-6-3-2-4-7-16/h2-13,21,26,28H,14-15H2,1H3/t21-,26-/m1/s1
C27H22O5426.46066600
58173251

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H22O5/c1-15(2)17-8-6-16(7-9-17)12-23-26(30)20-10-11-22-25(27(20)32-23)21(14-24(29)31-22)18-4-3-5-19(28)13-18/h3-13,15,21,28H,14H2,1-2H3/b23-12-
C27H22O5426.46066400
58173552

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H22O5/c1-15(2)17-5-3-16(4-6-17)13-23-26(30)20-11-12-22-25(27(20)32-23)21(14-24(29)31-22)18-7-9-19(28)10-8-18/h3-13,15,21,28H,14H2,1-2H3/b23-13-
C27H22O5426.46066400
400542

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H22O5/c1-29-18-9-10-20-24(11-18)31-15-22-21-12-23(28)26(13-25(21)32-27(20)22)30-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-13,22,27-28H,14-15H2,1H3
C27H22O5426.46065500
400543

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H22O5/c1-29-19-8-9-20-24(11-19)31-15-22-21-12-23(28)26(13-25(21)32-27(20)22)30-14-16-6-7-17-4-2-3-5-18(17)10-16/h2-13,22,27-28H,14-15H2,1H3
C27H22O5426.46065500
4816242

Double-bond stereo
InChI=1/C27H22O5/c1-3-30-22-14-16-25-23(17-22)26(18(2)31-25)27(29)32-21-12-10-20(11-13-21)24(28)15-9-19-7-5-4-6-8-19/h4-17H,3H2,1-2H3/b15-9+
C27H22O5426.46065400
4816243

Double-bond stereo
InChI=1/C27H22O5/c1-3-30-21-14-16-25-22(17-21)26(18(2)31-25)27(29)32-24-12-8-7-11-20(24)13-15-23(28)19-9-5-4-6-10-19/h4-17H,3H2,1-2H3/b15-13+
C27H22O5426.46065400
4816244

Double-bond stereo
InChI=1/C27H22O5/c1-3-30-21-13-15-25-23(17-21)26(18(2)31-25)27(29)32-22-11-7-8-19(16-22)12-14-24(28)20-9-5-4-6-10-20/h4-17H,3H2,1-2H3/b14-12+
C27H22O5426.46065400
4816245

Double-bond stereo
InChI=1/C27H22O5/c1-3-30-22-14-16-25-23(17-22)26(18(2)31-25)27(29)32-21-12-9-19(10-13-21)11-15-24(28)20-7-5-4-6-8-20/h4-17H,3H2,1-2H3/b15-11+
C27H22O5426.46065400
5016362

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H22O5/c1-2-30-27(29)26(20-13-7-4-8-14-20)31-21-16-17-22-24(18-21)32-23(25(22)28)15-9-12-19-10-5-3-6-11-19/h3-18,26H,2H2,1H3/b12-9+,23-15-
C27H22O5426.46065500
10228970

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H22O5/c1-31-26(29)23(20-15-9-4-10-16-20)22(19-13-7-3-8-14-19)24-25(28)21(32-27(24)30)17-18-11-5-2-6-12-18/h2-17,22-23,28H,1H3/b21-17-/t22-,23-/m0/s1
C27H22O5426.46065500
28575230
InChI=1/C26H18O4.CH4O/c27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16;1-2/h1-14,27-30H;2H,1H3
C27H22O5426.46064300
12345

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