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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 613 results

Search term: C25H35NO4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
102911

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1
C25H35NO4413.5497264300
514721

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H35NO4/c1-24(2)18-25(13-15-30-24,20-7-9-21(27-3)10-8-20)12-14-26-17-19-6-11-22(28-4)23(16-19)29-5/h6-11,16,26H,12-15,17-18H2,1-5H3
C25H35NO4413.5497251800
59354

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H35NO4/c1-6-25(3,4)26-16-21(27)17-30-24-15-19(10-14-23(24)29-5)9-13-22(28)20-11-7-18(2)8-12-20/h7-8,10-12,14-15,21,26-27H,6,9,13,16-17H2,1-5H3
C25H35NO4413.5497212510
2366616
InChI=1/C25H35NO4/c1-2-3-4-5-6-7-8-12-17-30-25(29)19-15-16-21-22(18-19)24(28)26(23(21)27)20-13-10-9-11-14-20/h15-16,18,20H,2-14,17H2,1H3
C25H35NO4413.5497211500
1277398
InChI=1/C25H35NO4/c1-8-28-21-14-18(15-22(29-9-2)24(21)30-10-3)25(27)26-23-19(16(4)5)12-11-13-20(23)17(6)7/h11-17H,8-10H2,1-7H3,(H,26,27)
C25H35NO4413.5497211300
21467784

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H35NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,21-24,28-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t21-,22-,23+,24-/m1/s1
C25H35NO4413.5497212000
2147287

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C25H35NO4/c1-16-13-24(3)21-17(2)25(16,15-29-23(27)26-18-9-5-4-6-10-18)14-28-22(21)19-11-7-8-12-20(19)30-24/h7-8,11-12,16-18,21-22H,4-6,9-10,13-15H2,1-3H3,(H,26,27)
C25H35NO4413.5497171100
4320623

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H35NO4/c1-5-24(27)26(18-20-9-8-15-29-20)14-12-25(13-16-30-23(17-25)19(2)3)21-10-6-7-11-22(21)28-4/h6-11,15,19,23H,5,12-14,16-18H2,1-4H3
C25H35NO4413.5497171300
1239828
InChI=1/C25H35NO4/c1-5-29-22-11-10-18(15-23(22)30-6-2)14-20(27)24-19(26-12-8-7-9-13-26)16-25(3,4)17-21(24)28/h10-11,15H,5-9,12-14,16-17H2,1-4H3
C25H35NO4413.5497171100
96924

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H35NO4/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24/h6-7,17-18,21,27-28H,5,8-14H2,1-4H3/t17-,18-,21-,22-,23-,24+,25-/m1/s1
C25H35NO4413.5497161800
950498
InChI=1/C25H35NO4/c1-16(2)12-14-29-24(27)21-18(5)26-19(6)22(25(28)30-15-13-17(3)4)23(21)20-10-8-7-9-11-20/h7-11,16-17,23,26H,12-15H2,1-6H3
C25H35NO4413.549715800
4742504

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H35NO4/c1-17(2)8-6-9-18(3)10-7-11-20(27)15-21-23-19(12-13-26(21)4)14-22-24(25(23)28-5)30-16-29-22/h8,10,14,21H,6-7,9,11-13,15-16H2,1-5H3/b18-10+
C25H35NO4413.549713900
10882883

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H35NO4/c1-26(21-7-5-4-6-8-21)17-22(27)18-30-25(19-9-13-23(28-2)14-10-19)20-11-15-24(29-3)16-12-20/h9-16,21-22,25,27H,4-8,17-18H2,1-3H3
C25H35NO4413.549711800
17462351

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H35NO4/c1-16-6-5-10-25(2)14-23-18(13-20(16)25)19(24(27)30-23)15-26-11-9-17-7-8-21(28-3)22(12-17)29-4/h7-8,12,18-20,23,26H,1,5-6,9-11,13-15H2,2-4H3/t18-,19?,20?,23-,25-/m1/s1
C25H35NO4413.549711800
22140479
InChI=1/C25H35NO4/c1-28-22-17-24(30-3)23(29-2)16-21(22)18-26-14-12-25(19-27,13-15-26)11-7-10-20-8-5-4-6-9-20/h4-6,8-9,16-17,27H,7,10-15,18-19H2,1-3H3
C25H35NO4413.5497111000
45743351

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H35NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,20-22,24,27,29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t20-,21+,22+,24+/m0/s1
C25H35NO4413.5497111200
22164702
InChI=1/C25H35NO4/c1-28-22-16-21(17-23(29-2)24(22)30-3)18-26-14-12-25(19-27,13-15-26)11-7-10-20-8-5-4-6-9-20/h4-6,8-9,16-17,27H,7,10-15,18-19H2,1-3H3
C25H35NO4413.549710900
22173480

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H35NO4/c1-28-22-16-24(30-3)23(29-2)15-21(22)17-26-14-8-13-25(18-26,19-27)12-7-11-20-9-5-4-6-10-20/h4-6,9-10,15-16,27H,7-8,11-14,17-19H2,1-3H3
C25H35NO4413.549710900
8177374

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22?,23-,24+,25-/m1/s1
C25H35NO4413.5497101200
10048803

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H35NO4/c1-15(27)28-17-8-10-23(4)16(12-17)6-7-18-19(23)9-11-24(5)20(18)13-21-25(24,14-26)30-22(2,3)29-21/h6,17-21H,7-13H2,1-5H3/t17-,18-,19+,20+,21-,23+,24+,25-/m1/s1
C25H35NO4413.549710600
12345

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