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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 3140 results

Search term: C28H27NO5 (Found by molecular formula)
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IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
1014304
InChI=1/C28H27NO5/c1-18-17-28(2,3)29(26(30)19-6-10-21(32-4)11-7-19)25-15-14-23(16-24(18)25)34-27(31)20-8-12-22(33-5)13-9-20/h6-17H,1-5H3
C28H27NO5457.5177271500
870233
InChI=1/C28H27NO5/c1-18-17-28(2,3)29(26(30)19-8-6-10-21(14-19)32-4)25-13-12-23(16-24(18)25)34-27(31)20-9-7-11-22(15-20)33-5/h6-17H,1-5H3
C28H27NO5457.5177271500
2146799

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H27NO5/c1-28(2)13-19-24-17-8-5-4-7-16(17)11-12-20(24)29-26(25(19)21(30)14-28)18-9-6-10-22(33-3)27(18)34-15-23(31)32/h4-12,26,29H,13-15H2,1-3H3,(H,31,32)
C28H27NO5457.51768261700
2149213

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H27NO5/c1-28(2)13-19-25-18-7-5-4-6-16(18)8-10-20(25)29-27(26(19)21(30)14-28)17-9-11-22(23(12-17)33-3)34-15-24(31)32/h4-12,27,29H,13-15H2,1-3H3,(H,31,32)
C28H27NO5457.51768261700
2175172

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C28H27NO5/c1-16-8-9-19(12-17(16)2)23(30)15-34-28(33)22(13-18-6-4-3-5-7-18)29-26(31)24-20-10-11-21(14-20)25(24)27(29)32/h3-12,20-22,24-25H,13-15H2,1-2H3
C28H27NO5457.51768231500
1008446
InChI=1/C28H27NO5/c1-17(2)21-7-5-6-8-23(21)29-27(30)16-32-20-11-12-22-25(14-20)33-15-26(28(22)31)34-24-13-18(3)9-10-19(24)4/h5-15,17H,16H2,1-4H3,(H,29,30)
C28H27NO5457.5177231400
1484714
InChI=1/C28H27NO5/c1-18-17-28(2,3)29(26(30)20-10-6-8-12-24(20)32-4)23-15-14-19(16-22(18)23)34-27(31)21-11-7-9-13-25(21)33-5/h6-17H,1-5H3
C28H27NO5457.5177231500
1029513
InChI=1/C28H27NO5/c1-18-27(19(2)30)23-17-22(34-28(31)21-8-6-5-7-9-21)11-12-24(23)29(18)15-14-20-10-13-25(32-3)26(16-20)33-4/h5-13,16-17H,14-15H2,1-4H3
C28H27NO5457.5177231300
4750744

Double-bond stereo
InChI=1/C28H27NO5/c1-17(2)19-12-10-18(11-13-19)14-21(28-29-22-8-6-7-9-23(22)34-28)26(30)20-15-24(31-3)27(33-5)25(16-20)32-4/h6-17H,1-5H3/b21-14-
C28H27NO5457.5177231500
1658846
InChI=1/C28H27NO5/c1-28(2,3)20-10-12-21(13-11-20)33-17-26(30)29-23-16-18(9-14-25(23)32-4)22-15-19-7-5-6-8-24(19)34-27(22)31/h5-16H,17H2,1-4H3,(H,29,30)
C28H27NO5457.5177221500
1093079
InChI=1/C28H27NO5/c1-32-21-7-9-23-24-10-8-22(17-26(24)34-28(31)25(23)16-21)33-18-27(30)29-13-11-20(12-14-29)15-19-5-3-2-4-6-19/h2-10,16-17,20H,11-15,18H2,1H3
C28H27NO5457.5177201500
1276730
InChI=1/C28H27NO5/c1-18-5-9-20(10-6-18)29-26(30)17-32-22-13-14-23-24(15-22)33-16-25(27(23)31)34-21-11-7-19(8-12-21)28(2,3)4/h5-16H,17H2,1-4H3,(H,29,30)
C28H27NO5457.5177201100
4099597

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H27NO5/c30-26(31)17-23(18-13-15-20(16-14-18)33-19-7-1-2-8-19)29-28(32)27-21-9-3-5-11-24(21)34-25-12-6-4-10-22(25)27/h3-6,9-16,19,23,27H,1-2,7-8,17H2,(H,29,32)(H,30,31)
C28H27NO5457.51768201400
1474587
InChI=1/C28H27NO5/c1-2-3-4-6-11-22-16-25-24(21-9-7-5-8-10-21)17-28(30)34-27(25)18-26(22)33-19-20-12-14-23(15-13-20)29(31)32/h5,7-10,12-18H,2-4,6,11,19H2,1H3
C28H27NO5457.5177201100
3043584
InChI=1/C28H27NO5/c1-17(2)33-27(32)18-6-15-23-24(16-18)26(31)29(25(23)30)20-9-13-22(14-10-20)34-21-11-7-19(8-12-21)28(3,4)5/h6-17H,1-5H3
C28H27NO5457.51768191200
1423568
InChI=1/C28H27NO5/c1-4-32-23-15-12-19(16-24(23)33-5-2)17-25(30)29-26-21-8-6-7-9-22(21)34-28(26)27(31)20-13-10-18(3)11-14-20/h6-16H,4-5,17H2,1-3H3,(H,29,30)
C28H27NO5457.5177191400
3303555
InChI=1/C28H27NO5/c1-3-4-7-18-33-22-16-12-20(13-17-22)28(31)29-25-23-8-5-6-9-24(23)34-27(25)26(30)19-10-14-21(32-2)15-11-19/h5-6,8-17H,3-4,7,18H2,1-2H3,(H,29,31)
C28H27NO5457.5177181200
4504165

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H27NO5/c30-26(18-16-22-10-4-1-5-11-22)29-25(28(32)34-21-24-14-8-3-9-15-24)17-19-27(31)33-20-23-12-6-2-7-13-23/h1-16,18,25H,17,19-21H2,(H,29,30)/b18-16+
C28H27NO5457.5177181700
2188471

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H27NO5/c1-27(2,3)20-11-9-19(10-12-20)23(30)15-28(32)21-6-4-5-7-22(21)29(26(28)31)16-18-8-13-24-25(14-18)34-17-33-24/h4-14,32H,15-17H2,1-3H3
C28H27NO5457.51768181200
5010512

Double-bond stereo
InChI=1/C28H27NO5/c1-4-5-16-33-21-12-10-19(11-13-21)27(30)23(28-29-24-8-6-7-9-26(24)34-28)18-20-17-22(31-2)14-15-25(20)32-3/h6-15,17-18H,4-5,16H2,1-3H3/b23-18-
C28H27NO5457.517718900
12345

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