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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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Single/Multi-component
Isotopically Labeled
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Found 89 results

Search term: C26H44O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4954537

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
C26H44O5436.6246282800
17465618

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C26H44O5/c1-18-8-9-19-23(6)16-28-22(4,5)30-20(23)10-11-24(19,7)26(18)13-12-25(31-26)14-15-27-21(2,3)29-17-25/h18-20H,8-17H2,1-7H3/t18-,19?,20+,23+,24+,25+,26-/m1/s1
C26H44O5436.624610700
17468734

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16?,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
C26H44O5436.62469600
20473421

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C26H44O5/c1-18-8-9-19-23(6)16-28-22(4,5)30-20(23)10-11-24(19,7)26(18)13-12-25(31-26)14-15-27-21(2,3)29-17-25/h18-20H,8-17H2,1-7H3/t18-,19?,20+,23+,24+,25?,26-/m1/s1
C26H44O5436.62467700
8427996

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-24(29-22)25-20-18-23(30-31-25)21-26(27)28/h5-8,22-25H,2-4,9-21H2,1H3,(H,27,28)/b6-5-,8-7-/t22-,23+,24+,25+/m1/s1
C26H44O5436.62467600
4509024

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(29-3)22-20-24(30-31-26)23-25(27)28-2/h4-7,20,22,24H,8-19,21,23H2,1-3H3/b5-4+,7-6+/t24-,26+/m0/s1
C26H44O5436.624671000
467662

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3
C26H44O5436.62466500
8156072

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-26(21-27,31-25(24)29)22-30-23(2)28/h10-11,19,27H,3-9,12-18,20-22H2,1-2H3/b11-10-,24-19-
C26H44O5436.62466500
17216172

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C26H44O5/c1-15(4-9-22(28)23(29)24(30)31)19-7-8-20-18-6-5-16-14-17(27)10-12-25(16,2)21(18)11-13-26(19,20)3/h15-23,27-29H,4-14H2,1-3H3,(H,30,31)/t15-,16-,17-,18+,19-,20+,21+,22-,23-,25+,26-/m1/s1
C26H44O5436.624666121
10266976

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C26H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(29-3)22-20-24(30-31-26)23-25(27)28-2/h4-7,20,22,24H,8-19,21,23H2,1-3H3/b5-4+,7-6+/t24-,26-/m0/s1
C26H44O5436.62465700
8224239

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-26(21-27,31-25(24)29)22-30-23(2)28/h10-11,19,27H,3-9,12-18,20-22H2,1-2H3/b11-10-,24-19-/t26-/m1/s1
C26H44O5436.62465400
8086571

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C26H44O5/c1-5-16-19-12-15(27)10-11-25(19,3)20-13-21(28)26(4)17(14(2)6-9-22(29)30)7-8-18(26)23(20)24(16)31/h14-21,23-24,27-28,31H,5-13H2,1-4H3,(H,29,30)/t14-,15-,16-,17-,18+,19+,20+,21+,23+,24-,25+,26-/m1/s1
C26H44O5436.62465400
301530

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C26H44O5/c1-8-25(6,31-23-22(29)21(28)20(27)17(3)30-23)15-12-18-16(2)10-11-19-24(4,5)13-9-14-26(18,19)7/h8,10,17-23,27-29H,1,9,11-15H2,2-7H3
C26H44O5436.62465600
8988156

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-26(21-27,31-25(24)29)22-30-23(2)28/h10-11,19,27H,3-9,12-18,20-22H2,1-2H3/b11-10-,24-19+/t26-/m1/s1
C26H44O5436.62465400
9971882

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-20-26(21-27,31-25(24)29)22-30-23(2)28/h10-11,19,27H,3-9,12-18,20-22H2,1-2H3/b11-10-,24-19+
C26H44O5436.62465400
10208640

Double-bond stereo

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C26H44O5/c1-14(13-27)5-6-15(2)18-12-21(30)22-16-11-20(29)23-24(31)19(28)8-10-25(23,3)17(16)7-9-26(18,22)4/h5-6,14-24,27-31H,7-13H2,1-4H3/b6-5+/t14?,15-,16-,17+,18-,19+,20+,21-,22-,23+,24+,25-,26-/m1/s1
C26H44O5436.62464400
9376490

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H44O5/c27-21-26-20-23(25(29)31-26)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-24(28)30-22-26/h18,27H,1-17,19-22H2/b23-18-
C26H44O5436.62464400
24763643
InChI=1/C26H44O5/c1-4-6-8-12-26(3,13-9-7-5-2)23-10-11-24-25(22-23)31-21-19-29-17-15-27-14-16-28-18-20-30-24/h10-11,22H,4-9,12-21H2,1-3H3
C26H44O5436.62464300
28720906
InChI=1/C26H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-26(29)22-20-23(27)25(28)24(21-22)30-2/h20-21,27-28H,3-19H2,1-2H3
C26H44O5436.62464300
4510302

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H44O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26(29-3)22-20-24(30-31-26)23-25(27)28-2/h4-7,20,22,24H,8-19,21,23H2,1-3H3/b5-4+,7-6+
C26H44O5436.62464400
12345

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