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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
Additional Filters

Found 20 results

Search term: C25H42O9 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
68151720

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C25H42O9/c1-14(6-7-26)4-5-17-15(11-27)8-19(34-23-21(32)20(31)18(30)12-33-23)22-24(2,13-28)9-16(29)10-25(17,22)3/h6,16,18-23,26-32H,4-5,7-13H2,1-3H3/b14-6+/t16-,18-,19-,20-,21+,22?,23-,24+,25+/m0/s1
C25H42O9486.59567700
9845036

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H42O9/c1-16-7-9-25(10-8-21(30-2)23(15-26)34-25)33-22(16)13-18(28)11-17(27)12-19-5-4-6-20(32-19)14-24(29)31-3/h7,9,16-23,26-28H,4-6,8,10-15H2,1-3H3/t16-,17-,18-,19-,20+,21-,22+,23+,25-/m0/s1
C25H42O9486.59563200
58145808

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H42O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(28)33-19(16-26)18-32-25-24(31)23(30)22(29)20(17-27)34-25/h3-4,6-7,9-10,19-20,22-27,29-31H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-/t19-,20-,22+,23+,24-,25-/m1/s1
C25H42O9486.59563400
27025511

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H42O9/c1-6-15(13-26)7-14(2)20-11-17(32-5)12-21(29)25(3,4)22-9-16(27)8-18(33-22)10-19(28)23(30)24(31)34-20/h7,9,15-21,23,26-30H,6,8,10-13H2,1-5H3/b14-7-/t15-,16-,17-,18-,19-,20+,21+,23+/m1/s1
C25H42O9486.59562200
29214679

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H42O9/c1-8-9-10-11-12-19(27)13-14-20(28)33-21-15(2)22(29)25(6,34-17(21)4)23(32-18(5)26)16(3)24(30)31-7/h13-17,19,21-23,27,29H,8-12H2,1-7H3/b14-13+/t15-,16-,17+,19+,21-,22+,23+,25+/m1/s1
C25H42O9486.59562200
8158467

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C25H42O9/c1-6-24(3,4)23(32)34-19-12-25(5,33)22(31)17-11-18(28)13(2)16(21(17)19)8-7-14(26)9-15(27)10-20(29)30/h11,13-16,18-19,21-22,26-28,31,33H,6-10,12H2,1-5H3,(H,29,30)/t13-,14-,15-,16+,18?,19+,21-,22-,25+/m1/s1
C25H42O9486.59562100
9469693

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H42O9/c1-18(2)14-31-16-20-22(28-5)23(29-6)24(25(34-20)33-17-21(26-3)27-4)32-13-12-30-15-19-10-8-7-9-11-19/h7-11,18,20-25H,12-17H2,1-6H3/t20-,22-,23+,24+,25+/m1/s1
C25H42O9486.59562100
9722394

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C25H42O9/c1-11(12(2)26)20(30)34-19-13-7-8-14-23(6,32)17-16(28)18(29)21(3,4)25(17,33)15(27)9-24(14,19)10-22(13,5)31/h11-19,26-29,31-33H,7-10H2,1-6H3/t11-,12-,13+,14-,15+,16+,17-,18-,19+,22+,23+,24-,25+/m0/s1
C25H42O9486.59562100
9837843

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C25H42O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(28)32-17-19(27)18-33-25-24(31)23(30)22(29)20(16-26)34-25/h3-4,6-7,9-10,19-20,22-27,29-31H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-/t19?,20-,22+,23+,24-,25-/m1/s1
C25H42O9486.59562100
74048170

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H42O9/c1-16-7-9-25(10-8-21(30-2)23(15-26)34-25)33-22(16)13-18(28)11-17(27)12-19-5-4-6-20(32-19)14-24(29)31-3/h7,9,16-23,26-28H,4-6,8,10-15H2,1-3H3/t16-,17-,18-,19+,20-,21-,22+,23+,25-/m0/s1
C25H42O9486.59561100
113374810

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H42O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(28)32-17-19(27)18-33-25-24(31)23(30)22(29)20(16-26)34-25/h3-4,6-7,9-10,19-20,22-27,29-31H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-/t19-,20-,22+,23+,24-,25-/m1/s1
C25H42O9486.59561100
113589368

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C25H42O9/c1-14(6-7-26)4-5-17-15(11-27)8-19(34-23-21(32)20(31)18(30)12-33-23)22-24(2,13-28)9-16(29)10-25(17,22)3/h6,16,18-23,26-32H,4-5,7-13H2,1-3H3/b14-6+/t16-,18-,19-,20-,21+,22?,23-,24+,25+/m1/s1
C25H42O9486.59561100
117216114

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H42O9/c1-3-4-5-8-18(28)11-12-21-22(24(31)14-23(21)30)13-19(29)9-6-7-10-25(32)34-20(15-26)16-33-17(2)27/h11-12,18,20-24,26,28,30-31H,3-10,13-16H2,1-2H3/b12-11+/t18-,20-,21+,22+,23+,24-/m0/s1
C25H42O9486.59561100
117216115

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H42O9/c1-3-4-5-8-18(28)11-12-21-22(24(31)14-23(21)30)13-19(29)9-6-7-10-25(32)33-16-20(15-26)34-17(2)27/h11-12,18,20-24,26,28,30-31H,3-10,13-16H2,1-2H3/b12-11+/t18-,20-,21+,22+,23+,24-/m0/s1
C25H42O9486.59561100
117216116

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H42O9/c1-3-4-5-8-18(27)11-12-21-22(24(31)14-23(21)30)13-19(28)9-6-7-10-25(32)34-16-20(29)15-33-17(2)26/h11-12,18,20-24,27,29-31H,3-10,13-16H2,1-2H3/b12-11+/t18-,20+,21+,22+,23+,24-/m0/s1
C25H42O9486.59561100
117216117

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H42O9/c1-3-4-5-8-18(27)11-12-21-22(24(31)14-23(21)30)13-19(28)9-6-7-10-25(32)34-16-20(29)15-33-17(2)26/h11-12,18,20-24,27,29-31H,3-10,13-16H2,1-2H3/b12-11+/t18-,20-,21+,22+,23+,24-/m0/s1
C25H42O9486.59561100
117216134

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C25H42O9/c1-3-4-7-10-19(28)13-14-23-21(22(29)15-25(31)34-23)11-8-5-6-9-12-24(30)33-20(16-26)17-32-18(2)27/h5,8,13-14,19-23,25-26,28-29,31H,3-4,6-7,9-12,15-17H2,1-2H3/b8-5-,14-13+/t19-,20-,21-,22-,23+,25?/m0/s1
C25H42O9486.59561100
117216135

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C25H42O9/c1-3-4-7-10-19(28)13-14-23-21(22(29)15-25(31)34-23)11-8-5-6-9-12-24(30)32-17-20(16-26)33-18(2)27/h5,8,13-14,19-23,25-26,28-29,31H,3-4,6-7,9-12,15-17H2,1-2H3/b8-5-,14-13+/t19-,20-,21-,22-,23+,25?/m0/s1
C25H42O9486.59561100
117216136

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C25H42O9/c1-3-4-7-10-19(27)13-14-23-21(22(29)15-25(31)34-23)11-8-5-6-9-12-24(30)33-17-20(28)16-32-18(2)26/h5,8,13-14,19-23,25,27-29,31H,3-4,6-7,9-12,15-17H2,1-2H3/b8-5-,14-13+/t19-,20+,21-,22-,23+,25?/m0/s1
C25H42O9486.59561100
117216137

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C25H42O9/c1-3-4-7-10-19(27)13-14-23-21(22(29)15-25(31)34-23)11-8-5-6-9-12-24(30)33-17-20(28)16-32-18(2)26/h5,8,13-14,19-23,25,27-29,31H,3-4,6-7,9-12,15-17H2,1-2H3/b8-5-,14-13+/t19-,20-,21-,22-,23+,25?/m0/s1
C25H42O9486.59561100

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