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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 188 results

Search term: C27H44O6 (Found by molecular formula)
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IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
18130


10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1
C27H44O6464.6347741001915142
103018

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3/t16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
C27H44O6464.6347637918023
28536385

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C27H44O6/c1-3-4-9-19(2)16-20(31-26-10-5-7-14-29-26)12-13-21-22-17-25(28)32-24(22)18-23(21)33-27-11-6-8-15-30-27/h12-13,19-24,26-27H,3-11,14-18H2,1-2H3/b13-12+/t19-,20+,21+,22+,23+,24-,26?,27?/m0/s1
C27H44O6464.6347272900
8087948

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,21-,22+,24+,25+,26+,27+/m0/s1
C27H44O6464.6347172000
4475938

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17?,19-,20+,22+,23-,25+,26+,27+/m0/s1
C27H44O6464.634715161915142
89696

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H44O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-23,25,29-30H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m1/s1
C27H44O6464.6347121300
31047189

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C27H44O6/c1-7-27(5,6)26(31)33-23-14-17(3)13-19-10-9-18(4)22(25(19)23)12-11-20(28)15-21(29)16-24(30)32-8-2/h9-10,13,17-18,20-23,25,28-29H,7-8,11-12,14-16H2,1-6H3/t17-,18-,20+,21+,22-,23-,25-/m0/s1
C27H44O6464.6347101200
8131715

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17?,19-,21?,22+,24+,25+,26+,27+/m0/s1
C27H44O6464.63479900
17461856

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C27H44O6/c1-14-5-8-27(32-13-14)15(2)23-21(33-27)10-18-16-9-22(30)26(31)12-20(29)19(28)11-25(26,4)17(16)6-7-24(18,23)3/h14-23,28-31H,5-13H2,1-4H3/t14?,15-,16+,17-,18?,19+,20+,21-,22+,23-,24-,25+,26-,27+/m0/s1
C27H44O6464.63479900
17466550

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17?,19+,21?,22-,24-,25-,26-,27-/m1/s1
C27H44O6464.634791000
17466518

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C27H44O6/c1-14-5-8-27(32-13-14)15(2)23-21(33-27)10-18-16-9-22(30)26(31)12-20(29)19(28)11-25(26,4)17(16)6-7-24(18,23)3/h14-23,28-31H,5-13H2,1-4H3/t14-,15+,16-,17?,18?,19-,20-,21+,22-,23+,24+,25-,26+,27-/m1/s1
C27H44O6464.63478800
10258931

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C27H44O6/c1-15-24(30)22(29)14-23(32-15)33-16(2)27(31)12-9-21-19-6-5-17-13-18(28)7-10-25(17,3)20(19)8-11-26(21,27)4/h5,15-16,18-24,28-31H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1
C27H44O6464.63478900
19917872

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20?,22+,23-,25+,26+,27+/m0/s1
C27H44O6464.63477800
271572

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C27H44O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-23,25,29-30H,6-14H2,1-5H3
C27H44O6464.63477700
4948146

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H44O6/c1-3-4-5-6-7-8-12-15-23(28)19-25-20-24(29)16-21(2)13-10-9-11-14-22(17-26(30)31)18-27(32)33-25/h9,11,13,18,23-25,28-29H,3-8,10,12,14-17,19-20H2,1-2H3,(H,30,31)/b11-9-,21-13-,22-18+/t23-,24-,25+/m1/s1
C27H44O6464.63476600
28525487

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H44O6/c1-23(2,31)9-6-10-26(5,32)22-8-12-27(33)17-13-19(28)18-14-20(29)21(30)15-24(18,3)16(17)7-11-25(22,27)4/h13,16,18,20-22,29-33H,6-12,14-15H2,1-5H3/t16-,18-,20+,21-,22-,24+,25+,26-,27+/m0/s1
C27H44O6464.63476600
8565166

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C27H44O6/c1-12(2)9-27(33)10-13(3)19-21(27)24(32)20-18-14(6-7-25(19,20)4)26(5)11-17(29)16(28)8-15(26)22(30)23(18)31/h12-23,28-31,33H,6-11H2,1-5H3/t13-,14+,15-,16+,17+,18-,19+,20+,21-,22-,23-,25-,26-,27-/m1/s1
C27H44O6464.63475500
9136818

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H44O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(33-16(2)28)12-17(26)13-22(25)29/h15,17-23,25,29-30H,6-14H2,1-5H3/t15-,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m1/s1
C27H44O6464.63475500
3441843

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3
C27H44O6464.6346600000015106500
271557

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C27H44O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(33-16(2)28)12-17(26)13-22(25)29/h15,17-23,25,29-30H,6-14H2,1-5H3
C27H44O6464.63475500
12345

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