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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 196 results

Search term: C25H36O7 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
33823655

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H36O7/c1-13(26)18-8-11-25-23(18,5)21(31-15(3)28)19(30-14(2)27)20-22(4)9-7-17(29)12-16(22)6-10-24(20,25)32-25/h16-21,29H,6-12H2,1-5H3/t16-,17-,18-,19-,20+,21+,22-,23-,24-,25+/m0/s1
C25H36O7448.5491181400
3546956

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C25H36O7/c1-9-30-16-12-10-15(11-13-16)18-19(21(27)31-23(2,3)4)17(26)14-25(8,29)20(18)22(28)32-24(5,6)7/h10-13,18-20,29H,9,14H2,1-8H3
C25H36O7448.5491415700
18641212

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h6-7,10,14,16-20,22,26H,5,8-9,11-13H2,1-4H3,(H,28,29)/t14-,16-,17+,18+,19-,20-,22-/m0/s1
C25H36O7448.5491141600
18616441

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h7,10,14,17-20,22,26H,5-6,8-9,11-13H2,1-4H3,(H,28,29)/t14-,17+,18+,19-,20-,22-/m0/s1
C25H36O7448.5491111100
2909139

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C25H36O7/c1-7-30-18-10-8-17(9-11-18)20-21(23(27)31-13-15(2)3)19(26)12-25(6,29)22(20)24(28)32-14-16(4)5/h8-11,15-16,20-22,29H,7,12-14H2,1-6H3
C25H36O7448.5491410600
19979798

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3/t16-,17-,18+,19+,22-,23+,24+,25+/m1/s1
C25H36O7448.549110800
17468333

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H36O7/c1-15(26)29-13-19(27)24(28)7-5-17-16-12-20-25(32-20)14-23(30-10-11-31-23)9-8-22(25,3)18(16)4-6-21(17,24)2/h16-18,20,28H,4-14H2,1-3H3/t16-,17-,18-,20-,21-,22+,24-,25-/m0/s1
C25H36O7448.54919600
4448354

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C25H36O7/c1-15(26)29-13-19(27)24(28)7-5-17-16-12-20-25(32-20)9-8-23(30-10-11-31-23)14-22(25,3)18(16)4-6-21(17,24)2/h16-18,20,28H,4-14H2,1-3H3/t16?,17?,18?,20-,21-,22+,24-,25-/m0/s1
C25H36O7448.549149600
22883580

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H36O7/c1-14(2)20-17(11-15(3)9-8-10-25(4)23(32-25)21(20)26)31-24(27)16-12-18(28-5)22(30-7)19(13-16)29-6/h9,12-14,17,20-21,23,26H,8,10-11H2,1-7H3/b15-9-/t17-,20?,21?,23+,25-/m0/s1
C25H36O7448.54918400
48063925

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3/t16-,17+,18+,19+,22-,23+,24+,25+/m1/s1
C25H36O7448.54918900
22883669

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H36O7/c1-14(2)20-17(11-15(3)9-8-10-25(4)23(32-25)21(20)26)31-24(27)16-12-18(28-5)22(30-7)19(13-16)29-6/h9,12-14,17,20-21,23,26H,8,10-11H2,1-7H3/b15-9+/t17-,20+,21+,23+,25+/m0/s1
C25H36O7448.54917300
31046161

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H36O7/c1-21-7-8-23(29-9-10-30-23)13-16(21)3-4-17-18-5-6-24(28,25(15-26)31-11-12-32-25)22(18,2)14-19(27)20(17)21/h13,17-18,20,26,28H,3-12,14-15H2,1-2H3/t17-,18-,20+,21-,22-,24+/m0/s1
C25H36O7448.54917400
107097

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3
C25H36O7448.54917500
22875286

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H36O7/c1-14(2)20-17(11-15(3)9-8-10-25(4)23(32-25)21(20)26)31-24(27)16-12-18(28-5)22(30-7)19(13-16)29-6/h9,12-14,17,20-21,23,26H,8,10-11H2,1-7H3/b15-9+/t17-,20-,21-,23-,25-/m1/s1
C25H36O7448.54916300
71299263

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C25H36O7/c1-15(26)29-13-19(27)24(28)7-5-17-16-12-20-25(32-20)14-23(30-10-11-31-23)9-8-22(25,3)18(16)4-6-21(17,24)2/h16-18,20,28H,4-14H2,1-3H3/t16?,17?,18?,20-,21-,22+,24-,25-/m0/s1
C25H36O7448.54916600
62328055

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H36O7/c1-14(2)20-17(11-15(3)9-8-10-25(4)23(32-25)21(20)26)31-24(27)16-12-18(28-5)22(30-7)19(13-16)29-6/h9,12-14,17,20-21,23,26H,8,10-11H2,1-7H3/b15-9-/t17-,20-,21-,23-,25-/m1/s1
C25H36O7448.54915400
19952442

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H36O7/c1-15(26)32-14-23-8-3-17(27)12-24(23,29)9-5-20-19(23)4-7-22(2)18(6-10-25(20,22)30)16-11-21(28)31-13-16/h11,17-20,27,29-30H,3-10,12-14H2,1-2H3/t17-,18+,19-,20+,22+,23-,24-,25-/m0/s1
C25H36O7448.54915700
48059868

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C25H36O7/c1-6-24(3,4)23(29)31-19-12-25(5)22(32-25)17-11-18(27)13(2)16(21(17)19)8-7-15-9-14(26)10-20(28)30-15/h11,13-16,19,21-22,26H,6-10,12H2,1-5H3/t13-,14-,15-,16+,19+,21-,22?,25?/m1/s1
C25H36O7448.54915600
8065544

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C25H36O7/c1-18(16-19(2)11-9-14-20-12-6-4-7-13-20)10-5-3-8-15-21(23(28)29)25(32,24(30)31)17-22(26)27/h4,6-7,9,12-14,18-19,21,32H,3,5,8,10-11,15-17H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/b14-9+
C25H36O7448.54915400
9353487

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C25H36O7/c1-12-10-23(29)24(30,22(28)15(4)8-18-19(26)9-14(3)21(18)27)20-13(2)6-7-17(20)16(5)25(23,31)32-11-12/h9-10,13,15-20,26,29-31H,6-8,11H2,1-5H3/t13-,15+,16-,17-,18+,19-,20+,23-,24-,25-/m1/s1
C25H36O7448.54915500
12345

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