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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 253 results

Search term: C25H38O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9434116

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H38O6/c1-6-17(2)13-19(4)14-20(5)25-22(8-10-24(29)31-25)30-23(28)9-7-18(3)15-21(16-27)11-12-26/h6-10,15,19-22,25-27H,11-14,16H2,1-5H3/b9-7+,17-6+,18-15+/t19-,20-,21-,22+,25+/m0/s1
C25H38O6434.5656191800
18604125

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H38O6/c1-5-25(3,4)24(29)31-21-11-16(14-26)10-17-7-6-15(2)20(23(17)21)9-8-19-12-18(27)13-22(28)30-19/h6-7,10,15-16,18-21,23,26-27H,5,8-9,11-14H2,1-4H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
C25H38O6434.5656181700
10318136

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H38O6/c1-6-25(4,5)24(29)31-21-10-14(2)9-16-11-20(27)15(3)19(23(16)21)8-7-18-12-17(26)13-22(28)30-18/h9,11,15,17-21,23,26-27H,6-8,10,12-13H2,1-5H3/t15-,17-,18-,19+,20-,21+,23+/m1/s1
C25H38O6434.5656141300
11427334

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H38O6/c1-5-9-11-18(7-3)16-30-24(28)21-14-13-20(23(26)27)15-22(21)25(29)31-17-19(8-4)12-10-6-2/h13-15,18-19H,5-12,16-17H2,1-4H3,(H,26,27)
C25H38O6434.5656131400
23936370

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C25H38O6/c1-14-10-17-7-6-15(2)20(9-8-19-12-18(27)13-22(28)30-19)23(17)21(11-14)31-24(29)25(4,5)16(3)26/h6-7,10,14-16,18-21,23,26-27H,8-9,11-13H2,1-5H3/t14-,15-,16?,18+,19+,20-,21-,23-/m0/s1
C25H38O6434.5656121400
91177

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H38O6/c1-5-9-11-18(7-3)16-30-24(28)20-13-14-21(22(15-20)23(26)27)25(29)31-17-19(8-4)12-10-6-2/h13-15,18-19H,5-12,16-17H2,1-4H3,(H,26,27)
C25H38O6434.5656111200
21164514

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H38O6/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)18-31-25(30)21-16-15-20(23(26)27)17-22(21)24(28)29/h15-17,19H,3-14,18H2,1-2H3,(H,26,27)(H,28,29)
C25H38O6434.565610900
29789708

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H38O6/c1-20-8-9-23(29-12-13-30-23)15-24(20)19(31-24)14-16-17(20)4-6-21(2)18(16)5-7-25(21,26)22(3)27-10-11-28-22/h16-19,26H,4-15H2,1-3H3/t16-,17+,18+,19+,20-,21+,24+,25-/m1/s1
C25H38O6434.5656101100
58781792

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H38O6/c1-5-9-11-18(7-3)16-30-24(28)20-13-14-21(23(26)27)22(15-20)25(29)31-17-19(8-4)12-10-6-2/h13-15,18-19H,5-12,16-17H2,1-4H3,(H,26,27)
C25H38O6434.5656101200
27472259

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H38O6/c1-5-25(3,4)24(29)31-21-11-16(14-26)10-17-7-6-15(2)20(23(17)21)9-8-19-12-18(27)13-22(28)30-19/h6-7,10,15-16,18-21,23,26-27H,5,8-9,11-14H2,1-4H3/t15-,16+,18-,19-,20-,21-,23-/m1/s1
C25H38O6434.56566400
32697850

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H38O6/c1-6-24(3,4)23(28)31-20-14-25(5,29)13-16-8-7-15(2)19(22(16)20)10-9-18-11-17(26)12-21(27)30-18/h7-8,13,15,17-20,22,26,29H,6,9-12,14H2,1-5H3/t15-,17+,18+,19-,20-,22-,25+/m0/s1
C25H38O6434.56566800
23976582

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C25H38O6/c1-20-8-9-23(29-12-13-30-23)15-24(20)19(31-24)14-16-17(20)4-6-21(2)18(16)5-7-25(21,26)22(3)27-10-11-28-22/h16-19,26H,4-15H2,1-3H3/t16-,17?,18?,19-,20-,21+,24-,25?/m1/s1
C25H38O6434.56566300
23078562

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H38O6/c1-4-5-6-7-9-17(2)14-21(28)23-16-24-22(30-24)13-12-20(27)19(26)11-8-10-18(3)15-25(29)31-23/h4-5,7-9,11-13,17-24,26-28H,6,10,14-16H2,1-3H3/b5-4+,9-7+,11-8+,13-12+/t17-,18-,19-,20-,21-,22-,23-,24-/m0/s1
C25H38O6434.56566542
216868

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H38O6/c1-14(26)30-13-22(29)20-8-7-19-18-6-5-16-11-17(31-15(2)27)9-10-24(16,3)23(18)21(28)12-25(19,20)4/h16-21,23,28H,5-13H2,1-4H3/t16-,17-,18+,19+,20-,21+,23-,24+,25+/m1/s1
C25H38O6434.56566400
312349

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C25H38O6/c1-14(26)30-18-7-9-24(3)17(13-18)5-6-19-20(24)8-10-25(4)21(19)11-16(12-22(28)29)23(25)31-15(2)27/h16-21,23H,5-13H2,1-4H3,(H,28,29)
C25H38O6434.56565200
2035060

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C25H38O6/c1-16(26)31-18-4-7-22(2)17(14-18)15-24(27-10-11-28-24)21-19(22)5-8-23(3)20(21)6-9-25(23)29-12-13-30-25/h17-21H,4-15H2,1-3H3/t17-,18?,19?,20?,21?,22+,23+/m1/s1
C25H38O6434.565625400
2313295

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H38O6/c1-15(26)30-14-22(28)21-9-12-25(29)20-6-5-17-13-18(31-16(2)27)7-10-23(17,3)19(20)8-11-24(21,25)4/h17-21,29H,5-14H2,1-4H3/t17-,18+,19+,20-,21+,23+,24-,25+/m1/s1
C25H38O6434.565625300
8427864

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H38O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,13,16-17,19-23,26-28H,6-12H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,24-,25-/m1/s1
C25H38O6434.56565400
8653472

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H38O6/c1-5-25(3,4)24(29)31-21-11-16(14-26)10-17-7-6-15(2)20(23(17)21)9-8-19-12-18(27)13-22(28)30-19/h6-7,10,15-16,18-21,23,26-27H,5,8-9,11-14H2,1-4H3/t15-,16+,18+,19+,20-,21-,23-/m0/s1
C25H38O6434.56565400
23977219

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C25H38O6/c1-14-10-17-7-6-15(2)20(9-8-19-12-18(27)13-22(28)30-19)23(17)21(11-14)31-24(29)25(4,5)16(3)26/h6-7,10,14-16,18-21,23,26-27H,8-9,11-13H2,1-5H3/t14?,15-,16?,18+,19+,20-,21?,23-/m0/s1
C25H38O6434.56565100
12345

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