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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 107 results

Search term: C27H36O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
70082
InChI=1/C27H36O2/c1-18-13-22(26(28)24(15-18)20-9-5-3-6-10-20)17-23-14-19(2)16-25(27(23)29)21-11-7-4-8-12-21/h13-16,20-21,28-29H,3-12,17H2,1-2H3
C27H36O2392.5735655200
9113276
InChI=1/C27H36O2/c1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20/h13-20,28-29H,3-12H2,1-2H3
C27H36O2392.5735413300
2563247

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H36O2/c1-3-5-6-8-22-11-19-26(20-12-22)29-27(28)25-17-15-24(16-18-25)23-13-9-21(7-4-2)10-14-23/h11-12,15-21,23H,3-10,13-14H2,1-2H3
C27H36O2392.5735221800
2379618

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H36O2/c1-3-5-6-7-21-8-12-23(13-9-21)24-14-16-25(17-15-24)27(28)20-22-10-18-26(19-11-22)29-4-2/h10-11,14-19,21,23H,3-9,12-13,20H2,1-2H3
C27H36O2392.57354171100
18559352

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H36O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h11-12,15-20,22-23H,3-10,13-14H2,1-2H3/t22-,23-
C27H36O2392.573515900
3222384
InChI=1/C27H36O2/c1-26(2,3)22-16-21(17-23(18-22)27(4,5)6)25(28)29-24-14-12-20(13-15-24)19-10-8-7-9-11-19/h12-19H,7-11H2,1-6H3
C27H36O2392.5735141000
2287222

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H36O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h11-12,15-20,22-23H,3-10,13-14H2,1-2H3
C27H36O2392.57354131300
2699620
InChI=1/C27H36O2/c1-26(15-5-3-6-16-26)22-13-9-11-20(24(22)28)19-21-12-10-14-23(25(21)29)27(2)17-7-4-8-18-27/h9-14,28-29H,3-8,15-19H2,1-2H3
C27H36O2392.5735411800
4955447
InChI=1/C27H36O2/c1-24(2)14-26(5,6)20-12-22(28)16(10-18(20)24)9-17-11-19-21(13-23(17)29)27(7,8)15-25(19,3)4/h10-13,28-29H,9,14-15H2,1-8H3
C27H36O2392.5735111400
18724149

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H36O2/c1-3-5-6-8-22-11-19-26(20-12-22)29-27(28)25-17-15-24(16-18-25)23-13-9-21(7-4-2)10-14-23/h11-12,15-21,23H,3-10,13-14H2,1-2H3/t21-,23-
C27H36O2392.57358400
26515260
InChI=1/C27H36O2/c1-16-13-24(20-9-5-6-10-20)26(28)22(18(16)3)15-23-19(4)17(2)14-25(27(23)29)21-11-7-8-12-21/h13-14,20-21,28-29H,5-12,15H2,1-4H3
C27H36O2392.5735481000
4732220

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H36O2/c1-26-14-5-4-6-20(26)9-12-22-23(26)13-15-27(2)24(22)17-19(25(27)28)16-18-7-10-21(29-3)11-8-18/h7-8,10-11,16,20,22-24H,4-6,9,12-15,17H2,1-3H3/b19-16+
C27H36O2392.57358400
19970975
InChI=1/C27H36O2/c1-18-13-22(26(28)16-24(18)20-9-5-3-6-10-20)15-23-14-19(2)25(17-27(23)29)21-11-7-4-8-12-21/h13-14,16-17,20-21,28-29H,3-12,15H2,1-2H3
C27H36O2392.57356500
35014718

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+
C27H36O2392.57356700
9363612

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C27H36O2/c1-15-4-5-23-22(6-15)26-24(28)13-18(14-25(26)29-27(23,2)3)12-21-19-8-16-7-17(10-19)11-20(21)9-16/h4,13-14,16-17,19-23,28H,5-12H2,1-3H3/t16?,17?,19?,20?,21?,22-,23-/m1/s1
C27H36O2392.57355400
9421382

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C27H36O2/c1-16-4-5-22-21(6-16)25-23(28)10-20(11-24(25)29-26(22,2)3)15-27-12-17-7-18(13-27)9-19(8-17)14-27/h4,10-11,17-19,21-22,28H,5-9,12-15H2,1-3H3/t17?,18?,19?,21-,22-,27?/m1/s1
C27H36O2392.57355400
4795421

Double-bond stereo
InChI=1/C27H36O2/c1-3-5-7-9-11-23-12-17-25(18-13-23)27(28)21-16-24-14-19-26(20-15-24)29-22-10-8-6-4-2/h12-21H,3-11,22H2,1-2H3/b21-16+
C27H36O2392.57355400
4811353

Double-bond stereo
InChI=1/C27H36O2/c1-3-5-7-8-9-10-22-29-26-19-14-24(15-20-26)16-21-27(28)25-17-12-23(13-18-25)11-6-4-2/h12-21H,3-11,22H2,1-2H3/b21-16+
C27H36O2392.57355400
2029706

1 of 8 defined stereocentres - 1/8 defined
InChI=1/C27H36O2/c1-25-14-11-21(28)18-20(25)8-9-22-23(25)12-15-26(2)24(22)13-17-27(26,29)16-10-19-6-4-3-5-7-19/h3-7,20-24,28-29H,8-9,11-15,17-18H2,1-2H3/t20?,21?,22?,23?,24?,25?,26?,27-/m0/s1
C27H36O2392.573545400
28587369

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H36O2/c1-7-20-9-10-22(21(8-2)15-20)25(23-13-16(3)11-18(5)26(23)28)24-14-17(4)12-19(6)27(24)29/h11-15,21-22,25,28-29H,7-10H2,1-6H3
C27H36O2392.57354400
12345

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