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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 86 results

Search term: C25H42O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4942968

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H42O6/c1-15(14-25(6)24(31-25)18(4)23(29-7)19(5)26)9-8-10-16(2)22-17(3)11-12-20(30-22)13-21(27)28/h8-10,15,17-20,22-24,26H,11-14H2,1-7H3,(H,27,28)/b9-8+,16-10+/t15-,17+,18-,19-,20-,22-,23-,24-,25-/m1/s1
C25H42O6438.5974272400
8917007

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H42O6/c1-17(7-5-8-22(28)16-20(4)26)14-24-15-19(3)13-23(29)12-18(2)11-21(27)9-6-10-25(30)31-24/h11,20-24,26-29H,1,3,5-10,12-16H2,2,4H3/b18-11+/t20?,21-,22?,23+,24+/m1/s1
C25H42O6438.59747600
32697441

Double-bond stereo
InChI=1/C25H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-24(20-29-22(2)26)21-30-23(3)27/h8-9,11-12,24H,4-7,10,13-21H2,1-3H3/b9-8-,12-11-
C25H42O6438.59746700
4515617

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h8-9,11-12,24H,4-7,10,13-21H2,1-3H3/b9-8+,12-11+
C25H42O6438.59746800
2035194

8 of 12 defined stereocentres - 8/12 defined
InChI=1/C25H42O6/c1-13(5-8-20(28)31-4)15-6-7-16-21-17(12-19(27)25(15,16)3)24(2)10-9-14(26)11-18(24)22(29)23(21)30/h13-19,21-23,26-27,29-30H,5-12H2,1-4H3/t13-,14?,15+,16?,17?,18+,19-,21?,22-,23+,24+,25+/m0/s1
C25H42O6438.5973800000015400
8726393

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H42O6/c1-16(27)31-17(14-26)15-30-21(28)20-24(5)12-8-18-22(2,3)10-7-11-23(18,4)19(24)9-13-25(20,6)29/h17-20,26,29H,7-15H2,1-6H3/t17-,18+,19-,20+,23+,24-,25-/m0/s1
C25H42O6438.59745400
8893219

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H42O6/c1-16(26)30-14-17(27)15-31-21(28)20-24(5)12-8-18-22(2,3)10-7-11-23(18,4)19(24)9-13-25(20,6)29/h17-20,27,29H,7-15H2,1-6H3/t17-,18+,19-,20+,23+,24-,25-/m0/s1
C25H42O6438.59745400
3163238

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C25H42O6/c1-2-3-4-5-12-17-26-21-20(19-18-27-24(29-19)13-8-6-9-14-24)28-23-22(21)30-25(31-23)15-10-7-11-16-25/h19-23H,2-18H2,1H3
C25H42O6438.59744200
4515615

Double-bond stereo
InChI=1/C25H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-24(20-29-22(2)26)21-30-23(3)27/h8-9,11-12,24H,4-7,10,13-21H2,1-3H3/b9-8+,12-11+
C25H42O6438.59744500
9537579

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H42O6/c1-6-23(3)12-8-18-24(4)11-7-10-22(2,17(24)9-13-25(18,5)31-23)15-30-21-20(28)19(27)16(26)14-29-21/h6,16-21,26-28H,1,7-15H2,2-5H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25+/m0/s1
C25H42O6438.59744300
9822573

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H42O6/c1-10-14(4)22-16(6)21(28)18(8)25(30-22)19(9)24(29-20(27)11-13(2)3)17(7)23(31-25)15(5)12-26/h13-15,17-19,23-24,26H,10-12H2,1-9H3/t14-,15+,17-,18+,19+,23+,24+,25-/m0/s1
C25H42O6438.59744400
23172355

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C25H42O6/c1-6-25(4,5)24(29)31-20-11-15(3)23(28)19-9-7-14(2)18(22(19)20)10-8-17-12-16(26)13-21(27)30-17/h14-20,22-23,26,28H,6-13H2,1-5H3/t14-,15-,16+,17?,18-,19+,20-,22?,23-/m0/s1
C25H42O6438.59743300
23172664

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C25H42O6/c1-6-25(4,5)24(29)31-20-11-15(3)23(28)19-9-7-14(2)18(22(19)20)10-8-17-12-16(26)13-21(27)30-17/h14-20,22-23,26,28H,6-13H2,1-5H3/t14-,15-,16+,17?,18-,19+,20-,22?,23+/m0/s1
C25H42O6438.59743300
28483635
InChI=1/C25H42O6/c1-2-3-10-13-21-16-22(28)18-23(17-21)30-15-12-9-7-5-4-6-8-11-14-25(29)31-24(19-26)20-27/h16-18,24,26-28H,2-15,19-20H2,1H3
C25H42O6438.59743300
28486591

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H42O6/c1-2-3-10-13-21-16-22(27)18-24(17-21)30-15-12-9-7-5-4-6-8-11-14-25(29)31-20-23(28)19-26/h16-18,23,26-28H,2-15,19-20H2,1H3
C25H42O6438.59743300
32699803

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H42O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)30-21-24(31-23(3)27)20-29-22(2)26/h8-9,11-12,24H,4-7,10,13-21H2,1-3H3/b9-8-,12-11-
C25H42O6438.59743500
9526062

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H42O6/c1-16(2)6-5-7-19-12-20-9-8-17(3)24(30-20)14-21(28-4)13-22-10-18(26)11-23(29-22)15-25(27)31-19/h5,7,16-24,26H,6,8-15H2,1-4H3/b7-5+/t17-,18+,19-,20-,21-,22-,23+,24+/m0/s1
C25H42O6438.59743300
309931

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C25H42O6/c1-4-7-13-17-18(25(27)29-6-3)16-19(24-23(17)31-24)22-20(30-22)14-11-9-8-10-12-15-21(26)28-5-2/h17-20,22-24H,4-16H2,1-3H3
C25H42O6438.59743300
7826967

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H42O6/c1-16(2)6-5-7-19-12-20-9-8-17(3)24(30-20)14-21(28-4)13-22-10-18(26)11-23(29-22)15-25(27)31-19/h5,7,16-24,26H,6,8-15H2,1-4H3/b7-5+/t17-,18-,19-,20-,21+,22-,23+,24+/m0/s1
C25H42O6438.59743300
8093986

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H42O6/c1-5-6-9-12-18(26)15-16-20-19(13-10-7-8-11-14-23(28)29)21(27)17-22(20)31-24(30)25(2,3)4/h7,10,15-16,18-22,26-27H,5-6,8-9,11-14,17H2,1-4H3,(H,28,29)/b10-7-,16-15+/t18-,19+,20+,21-,22+/m0/s1
C25H42O6438.59743300
12345

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