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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 2291 results

Search term: C27H25NO4 (Found by molecular formula)
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IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4646053

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H25NO4/c29-26(30)17-20(12-8-11-19-9-2-1-3-10-19)28-27(31)32-18-25-23-15-6-4-13-21(23)22-14-5-7-16-24(22)25/h1-11,13-16,20,25H,12,17-18H2,(H,28,31)(H,29,30)/b11-8+/t20-/m0/s1
C27H25NO4427.4917543200
2096049
InChI=1/C27H25NO4/c29-25(30)27(19-8-2-1-3-9-19)14-16-28(17-15-27)26(31)32-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,29,30)
C27H25NO4427.4917443400
5373301

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H25NO4/c29-26(30)17-20(12-8-11-19-9-2-1-3-10-19)28-27(31)32-18-25-23-15-6-4-13-21(23)22-14-5-7-16-24(22)25/h1-11,13-16,20,25H,12,17-18H2,(H,28,31)(H,29,30)/b11-8+/t20-/m1/s1
C27H25NO4427.4917423500
2166621

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H25NO4/c1-27(2)13-20-24-19-6-4-3-5-16(19)9-12-21(24)28-26(25(20)22(29)14-27)17-7-10-18(11-8-17)32-15-23(30)31/h3-12,26,28H,13-15H2,1-2H3,(H,30,31)
C27H25NO4427.4917261800
1258192
InChI=1/C27H25NO4/c1-4-32-22-12-10-18(11-13-22)23-15-20(27(29)28-21-8-6-5-7-9-21)14-19-16-25(30-2)26(31-3)17-24(19)23/h5-17H,4H2,1-3H3,(H,28,29)
C27H25NO4427.4917251700
1177191
InChI=1/C27H25NO4/c1-18-17-27(2,3)28(25(29)19-10-12-21(31-4)13-11-19)24-15-14-22(16-23(18)24)32-26(30)20-8-6-5-7-9-20/h5-17H,1-4H3
C27H25NO4427.4917241400
1088213
InChI=1/C27H25NO4/c1-17-8-7-9-18(2)26(17)28-25(29)16-31-21-12-13-22-19(3)23(27(30)32-24(22)15-21)14-20-10-5-4-6-11-20/h4-13,15H,14,16H2,1-3H3,(H,28,29)
C27H25NO4427.4917231600
2195297

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H25NO4/c1-4-21(30)32-16-11-9-15(10-12-16)22-23-19(13-27(2,3)14-20(23)29)28-25-17-7-5-6-8-18(17)26(31)24(22)25/h5-12,22,28H,4,13-14H2,1-3H3
C27H25NO4427.4917221800
21473197

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H25NO4/c29-26(30)24-16-28(15-14-19(24)18-8-2-1-3-9-18)27(31)32-17-25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h1-13,19,24-25H,14-17H2,(H,29,30)/t19-,24-/m0/s1
C27H25NO4427.4917221800
23894842

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H25NO4/c29-26(30)25-15-19(14-18-8-2-1-3-9-18)16-28(25)27(31)32-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24-25H,14-17H2,(H,29,30)/t19-,25+/m1/s1
C27H25NO4427.4917221600
1652323
InChI=1/C27H25NO4/c1-17-11-18(2)13-21(12-17)28-26(29)16-31-22-9-10-23-19(3)24(27(30)32-25(23)15-22)14-20-7-5-4-6-8-20/h4-13,15H,14,16H2,1-3H3,(H,28,29)
C27H25NO4427.4917221500
1675089
InChI=1/C27H25NO4/c1-17(2)22-12-11-18(3)13-25(22)31-16-26(29)28-21-9-6-8-19(14-21)23-15-20-7-4-5-10-24(20)32-27(23)30/h4-15,17H,16H2,1-3H3,(H,28,29)
C27H25NO4427.4917221500
3126357
InChI=1/C27H25NO4/c1-3-4-17-32-27(30)19-9-13-20(14-10-19)28-25-22-7-5-6-8-23(22)26(29)24(25)18-11-15-21(31-2)16-12-18/h5-16,28H,3-4,17H2,1-2H3
C27H25NO4427.4917211600
1411434
InChI=1/C27H25NO4/c1-18-22-12-13-25-24(16-28(17-31-25)15-20-8-10-21(30-2)11-9-20)26(22)32-27(29)23(18)14-19-6-4-3-5-7-19/h3-13H,14-17H2,1-2H3
C27H25NO4427.4917211100
1465786
InChI=1/C27H25NO4/c1-5-31-27(30)25-19(4)28(21-12-11-17(2)18(3)15-21)24-14-13-22(16-23(24)25)32-26(29)20-9-7-6-8-10-20/h6-16H,5H2,1-4H3
C27H25NO4427.4917211100
1477594

Double-bond stereo
InChI=1/C27H25NO4/c1-4-31-22-15-13-21(14-16-22)28-18(3)25(27(30)32-5-2)24(26(28)29)17-20-11-8-10-19-9-6-7-12-23(19)20/h6-17H,4-5H2,1-3H3/b24-17-
C27H25NO4427.4917211600
1632102
InChI=1/C27H25NO4/c1-17(2)21-11-7-8-18(3)27(21)28-25(29)16-31-20-12-13-22-23(19-9-5-4-6-10-19)15-26(30)32-24(22)14-20/h4-15,17H,16H2,1-3H3,(H,28,29)
C27H25NO4427.4917211400
1391626
InChI=1/C27H25NO4/c1-3-19-13-23-22(20-7-5-4-6-8-20)14-25(29)32-27(23)24-16-28(17-31-26(19)24)15-18-9-11-21(30-2)12-10-18/h4-14H,3,15-17H2,1-2H3
C27H25NO4427.4917201200
3319357

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H25NO4/c1-2-19-8-14-24(15-9-19)28-17-23(16-26(28)30)27(31)32-18-25(29)22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-15,23H,2,16-18H2,1H3
C27H25NO4427.4917201100
1688861
InChI=1/C27H25NO4/c1-17-5-7-18(8-6-17)23-14-20(27(29)28-21-9-11-22(30-2)12-10-21)13-19-15-25(31-3)26(32-4)16-24(19)23/h5-16H,1-4H3,(H,28,29)
C27H25NO4427.4917201300
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