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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 80 results

Search term: C26H28O13 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10289943

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H28O13/c27-9-26(35)10-38-25(24(26)34)37-8-16-19(31)20(32)21(33)23(39-16)17-15(29)6-5-13-18(30)14(7-36-22(13)17)11-1-3-12(28)4-2-11/h1-7,16,19-21,23-25,27-29,31-35H,8-10H2/t16-,19-,20+,21-,23+,24+,25-,26-/m1/s1
C26H28O13548.4927373610
57620724

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H28O13/c27-11-3-1-10(2-4-11)13-7-36-24-12(18(13)30)5-6-14(28)17(24)25-22(34)21(33)20(32)16(39-25)9-38-26-23(35)19(31)15(29)8-37-26/h1-7,15-16,19-23,25-29,31-35H,8-9H2/t15-,16-,19+,20-,21+,22-,23-,25+,26+/m1/s1
C26H28O13548.4927242400
21249232

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H28O13/c1-9-14(6-12-16(17(9)28)19(30)11-5-3-2-4-10(11)18(12)29)38-26-24(35)22(33)21(32)15(39-26)8-37-25-23(34)20(31)13(27)7-36-25/h2-6,13,15,20-28,31-35H,7-8H2,1H3/t13-,15-,20+,21-,22+,23-,24-,25+,26-/m1/s1
C26H28O13548.492710800
321164

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C26H28O13/c1-33-20(27)13-10-11-8-9-12(14(13)21(28)34-2)18-16(23(30)36-4)15(22(29)35-3)17(24(31)37-5)19(25(32)38-6)26(11,18)39-7/h8-12,14,18H,1-7H3
C26H28O13548.49277500
10142643

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H28O13/c27-7-16-20(32)21(33)22(34)25(38-16)17-15(39-26-23(35)19(31)14(29)9-37-26)6-5-12-18(30)13(8-36-24(12)17)10-1-3-11(28)4-2-10/h1-6,8,14,16,19-23,25-29,31-35H,7,9H2/t14-,16-,19+,20-,21+,22-,23-,25+,26-/m1/s1
C26H28O13548.49276700
16737505

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H28O13/c27-10-26(34)11-37-25(23(26)33)36-9-18-20(30)21(31)22(32)24(39-18)38-14-5-6-15-17(7-14)35-8-16(19(15)29)12-1-3-13(28)4-2-12/h1-8,18,20-25,27-28,30-34H,9-11H2/t18-,20-,21+,22-,23+,24-,25-,26-/m1/s1
C26H28O13548.49275500
82965166

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C26H28O13/c27-7-13-18(31)21(34)23(36)26(39-13)15-19(32)14-10(28)6-12(9-4-2-1-3-5-9)38-24(14)16(20(15)33)25-22(35)17(30)11(29)8-37-25/h1-6,11,13,17-18,21-23,25-27,29-36H,7-8H2/t11-,13+,17-,18+,21-,22+,23+,25-,26?/m1/s1
C26H28O13548.49274300
88297063

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H28O13/c27-10-26(34)11-37-25(23(26)33)36-9-18-20(30)21(31)22(32)24(39-18)38-14-5-6-15-17(7-14)35-8-16(19(15)29)12-1-3-13(28)4-2-12/h1-8,18,20-25,27-28,30-34H,9-11H2/t18-,20+,21+,22-,23-,24+,25+,26-/m0/s1
C26H28O13548.49274300
552758

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C26H28O13/c1-11(6-7-27)25(35)36-10-17-19(30)21(32)23(34)26(39-17)37-14-8-15(29)18-16(9-14)38-24(22(33)20(18)31)12-2-4-13(28)5-3-12/h2-5,8-9,17,19,21-24,26-30,32-34H,1,6-7,10H2/t17-,19-,21+,22+,23-,24-,26-/m1/s1
C26H28O13548.49274300
159934

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C26H28O13/c27-8-18-20(30)21(31)22(32)24(39-18)38-14-5-6-15-17(7-14)35-9-16(19(15)29)12-1-3-13(4-2-12)37-25-23(33)26(34,10-28)11-36-25/h1-7,9,18,20-25,27-28,30-34H,8,10-11H2
C26H28O13548.49274500
21613101

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C26H28O13/c27-7-13-18(31)21(34)23(36)26(39-13)15-19(32)14-10(28)6-12(9-4-2-1-3-5-9)38-24(14)16(20(15)33)25-22(35)17(30)11(29)8-37-25/h1-6,11,13,17-18,21-23,25-27,29-36H,7-8H2
C26H28O13548.492724100
22913167

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H28O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-5-6-15-16(30)8-17(37-18(15)7-14)12-1-3-13(29)4-2-12/h1-8,19-25,27-29,31-34H,9-11H2/t19-,20-,21+,22-,23+,24-,25-,26-/m1/s1
C26H28O13548.49274200
24783778

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C26H28O13/c1-22(9-27)23(2,35)24(3,36)25(4,37)26(5,39-22)38-15-8-13-16(20(32)19(15)31)18(30)10-6-12(21(33)34)14(28)7-11(10)17(13)29/h6-8,27-28,31-32,35-37H,9H2,1-5H3,(H,33,34)/t22?,23-,24-,25?,26+/m1/s1
C26H28O13548.49273300
58988946

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H28O13/c1-9(28)3-2-4-16(38-26-24(37)23(36)25(39-26)15(32)8-27)19-14(31)7-12-18(22(19)35)21(34)17-11(20(12)33)5-10(29)6-13(17)30/h5-7,15-16,23-27,29-32,35-37H,2-4,8H2,1H3/t15-,16+,23-,24-,25+,26-/m1/s1
C26H28O13548.49273300
185085

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H28O13/c1-9-14(6-12-16(17(9)28)19(30)11-5-3-2-4-10(11)18(12)29)38-26-24(35)22(33)21(32)15(39-26)8-37-25-23(34)20(31)13(27)7-36-25/h2-6,13,15,20-28,31-35H,7-8H2,1H3/t13-,15-,20-,21-,22-,23-,24-,25+,26-/m1/s1
C26H28O13548.49273300
427531
InChI=1/C26H28O13/c1-13(27)34-24-22(33-7)11-19(26(37-16(4)30)38-17(5)31)12-23(24)39-20-9-8-18(10-21(20)32-6)25(35-14(2)28)36-15(3)29/h8-12,25-26H,1-7H3
C26H28O13548.49273300
8590535

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C26H28O13/c1-35-22(33)15-10-36-24(38-25-21(32)20(31)19(30)16(9-27)37-25)17-13(15)6-7-26(17)8-14(23(34)39-26)18(29)11-2-4-12(28)5-3-11/h2-8,10,13,16-21,24-25,27-32H,9H2,1H3/t13-,16-,17-,18?,19-,20+,21-,24+,25+,26-/m1/s1
C26H28O13548.49273260
159930

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C26H28O13/c27-10-26(34)11-37-25(23(26)33)36-9-18-20(30)21(31)22(32)24(39-18)38-14-5-6-15-17(7-14)35-8-16(19(15)29)12-1-3-13(28)4-2-12/h1-8,18,20-25,27-28,30-34H,9-11H2
C26H28O13548.49273300
82827369

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H28O13/c27-11-3-1-10(2-4-11)13-7-36-24-12(18(13)30)5-6-14(28)17(24)25-22(34)21(33)20(32)16(39-25)9-38-26-23(35)19(31)15(29)8-37-26/h1-7,15-16,19-23,25-29,31-35H,8-9H2/t15-,16-,19+,20-,21+,22-,23-,25+,26+/m0/s1
C26H28O13548.49272300
82964475

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C26H28O13/c27-9-26(35)10-38-25(24(26)34)37-8-16-19(31)20(32)21(33)23(39-16)17-15(29)6-5-13-18(30)14(7-36-22(13)17)11-1-3-12(28)4-2-11/h1-7,16,19-21,23-25,27-29,31-35H,8-10H2/t16-,19-,20+,21-,23+,24+,25-,26-/m0/s1
C26H28O13548.49272200
1234

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