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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 285 results

Search term: C27H45NO3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
116523

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1
C27H45NO3431.6511676600
8585948

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m0/s1
C27H45NO3431.6511362700
5037173

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m1/s1
C27H45NO3431.6511282300
73797
InChI=1/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-26(29)24-19-21-25(22-20-24)27(30)31-2/h19-22H,3-18,23H2,1-2H3,(H,28,29)
C27H45NO3431.6511191800
3123443
InChI=1/C27H45NO3/c1-3-5-7-9-11-13-15-17-23-31-27(30)24-19-21-25(22-20-24)28-26(29)18-16-14-12-10-8-6-4-2/h19-22H,3-18,23H2,1-2H3,(H,28,29)
C27H45NO3431.6511161100
10181190

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+,25-,26+,27-/m0/s1
C27H45NO3431.6511151500
2355489
InChI=1/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-26-18-16-25(17-19-26)27(29)28-20-23-30-24-21-28/h16-19H,2-15,20-24H2,1H3
C27H45NO3431.651100000001141000
26389784

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H45NO3/c1-16(4-9-24(31)28-18-5-6-18)20-7-8-21-25-22(11-13-27(20,21)3)26(2)12-10-19(29)14-17(26)15-23(25)30/h16-23,25,29-30H,4-15H2,1-3H3,(H,28,31)/t16-,17+,19-,20-,21+,22+,23+,25+,26+,27-/m1/s1
C27H45NO3431.651113900
17460027

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16+,17+,18+,19+,20-,21-,22+,23+,24-,25-,26+,27-/m0/s1
C27H45NO3431.651112700
5142223

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-26(29)28-25(27(30)31)23-24-20-17-16-18-21-24/h16-18,20-21,25H,2-15,19,22-23H2,1H3,(H,28,29)(H,30,31)/t25-/m0/s1
C27H45NO3431.651112700
4943572

Double-bond stereo
InChI=1/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-27(30)23-24-19-20-25(29)26(22-24)31-2/h10-11,19-20,22,29H,3-9,12-18,21,23H2,1-2H3,(H,28,30)/b11-10-
C27H45NO3431.651111800
32821833

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9+/t25-/m1/s1
C27H45NO3431.6511101000
17463647

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,24-,25-,26+,27-/m0/s1
C27H45NO3431.651110700
137778

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-25,29-31H,4-14H2,1-3H3/t15-,16+,17+,18+,19-,20-,21-,22-,23+,24-,25-,26+,27-/m0/s1
C27H45NO3431.651110700
4943368

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(30)31-24-26(29)23-28-25-20-17-16-18-21-25/h9-10,16-18,20-21,26,28-29H,2-8,11-15,19,22-24H2,1H3/b10-9+
C27H45NO3431.65119700
67968707

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(31)28-23(2)21-24-19-20-25(29)26(30)22-24/h10-11,19-20,22-23,29-30H,3-9,12-18,21H2,1-2H3,(H,28,31)/b11-10-
C27H45NO3431.651191000
17472050

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25-,26-,27+/m1/s1
C27H45NO3431.65118700
21270289

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H45NO3/c1-15-4-5-24-16(2)18-7-9-27(31)20(19(18)14-28(24)13-15)11-21-22(27)12-25(30)23-10-17(29)6-8-26(21,23)3/h15-25,29-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20+,21+,22?,23-,24+,25-,26-,27+/m1/s1
C27H45NO3431.65118600
22875003

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C27H45NO3/c1-14-4-5-23-15(2)17-10-25(31)26-18(20(17)13-28(23)12-14)9-21-19(26)11-24(30)22-8-16(29)6-7-27(21,22)3/h14-26,29-31H,4-13H2,1-3H3/t14-,15+,16+,17+,18-,19+,20+,21-,22+,23-,24+,25-,26?,27+/m0/s1
C27H45NO3431.65118400
245278

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H45NO3/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(28(30)31)24-15-19(29)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-23,29H,6-16H2,1-5H3
C27H45NO3431.65118500
12345

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