Matches any text strings used to describe a molecule.
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 45 results

Search term: C21H31NO9 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17466918

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16-,20-,21+/m1/s1
C21H31NO9441.472111800
20194811

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13?,16?,20+,21+/m1/s1
C21H31NO9441.472110800
17467150

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13-,16+,20-,21-/m0/s1
C21H31NO9441.47218400
4945572

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13?,16-,20-,21?/m1/s1
C21H31NO9441.47217700
114926

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H31NO9/c1-4-5-12-8-13(23)6-7-15(12)29-10-14(9-22-11(2)3)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h4,6-8,11,14,16-19,21-26H,1,5,9-10H2,2-3H3,(H,27,28)/t14?,16-,17-,18+,19-,21+/m0/s1
C21H31NO9441.47216600
142867

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C21H31NO9/c1-4-9-28-14-7-5-6-8-15(14)29-11-13(10-22-12(2)3)30-21-18(25)16(23)17(24)19(31-21)20(26)27/h4-8,12-13,16-19,21-25H,1,9-11H2,2-3H3,(H,26,27)/t13?,16-,17-,18+,19-,21+/m0/s1
C21H31NO9441.47216500
17468887

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C21H31NO9/c1-11-4-5-14-12(2)18(27-17(26)7-6-15(23)22-10-16(24)25)28-19-21(14)13(11)8-9-20(3,29-19)30-31-21/h11-14,18-19H,4-10H2,1-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14+,18-,19-,20?,21?/m1/s1
C21H31NO9441.47215200
11034719

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C19H29NO5.C2H2O4/c1-13-6-4-5-7-16(13)20-11-15(21)12-25-17-9-8-14(19(22)24-3)10-18(17)23-2;3-1(4)2(5)6/h8-10,13,15-16,20-21H,4-7,11-12H2,1-3H3;(H,3,4)(H,5,6)
C21H31NO9441.47214200
157549

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H31NO9/c1-5-11-28-14-9-7-8-10-15(14)30-21(27)18(24)16(23)17(19(25)26)31-20(21,29-6-2)12-22-13(3)4/h5,7-10,13,16-18,22-24,27H,1,6,11-12H2,2-4H3,(H,25,26)/t16-,17+,18+,20-,21+/m1/s1
C21H31NO9441.47214400
23548746

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H31NO9/c1-11-4-5-14-12(2)18(27-17(26)7-6-15(23)22-10-16(24)25)28-19-21(14)13(11)8-9-20(3,29-19)30-31-21/h11-14,18-19H,4-10H2,1-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14+,18-,19-,20+,21?/m1/s1
C21H31NO9441.47214300
81422432

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13?,16?,20-,21+/m1/s1
C21H31NO9441.47214300
81423667

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3/b15-6-/t12-,13+,16?,20-,21+/m1/s1
C21H31NO9441.47213300
4287410

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3
C21H31NO9441.472142100
5099825

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H31NO9/c1-14(2)16-13-30-21(26)22(16)20(25)19(27-3)18-17(24)7-6-15(31-18)5-4-9-28-11-12-29-10-8-23/h5-7,14,16,18-19,23H,4,8-13H2,1-3H3/t16-,18+,19+/m1/s1
C21H31NO9441.47212100
5141109

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H31NO9/c1-14(2)16-13-30-21(26)22(16)20(25)19(27-3)18-17(24)7-6-15(31-18)5-4-9-28-11-12-29-10-8-23/h5-7,14,16,18-19,23H,4,8-13H2,1-3H3/t16-,18+,19+/m0/s1
C21H31NO9441.47212100
5141385

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H31NO9/c1-13(2)17-12-30-21(28)22(17)20(27)14(3)19(31-15(4)24)18(26)8-7-16(25)6-5-10-29-11-9-23/h7-8,13-14,17,19,23H,5-6,9-12H2,1-4H3/t14-,17+,19-/m1/s1
C21H31NO9441.47212100
5141460

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H31NO9/c1-13(2)17-12-30-21(28)22(17)20(27)14(3)19(31-15(4)24)18(26)8-7-16(25)6-5-10-29-11-9-23/h7-8,13-14,17,19,23H,5-6,9-12H2,1-4H3/t14-,17+,19-/m0/s1
C21H31NO9441.47212100
8846166

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C21H31NO9/c1-10-15(24)17(26)14(22-12(3)23)20(29-10)31-19-18(27)16(25)11(2)30-21(19)28-9-13-7-5-4-6-8-13/h4-8,10-11,14-21,24-27H,9H2,1-3H3,(H,22,23)/t10-,11-,14-,15+,16+,17-,18+,19-,20-,21+/m0/s1
C21H31NO9441.47212100
9038406

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H31NO9/c1-11(23)22-17-20(18(27)15-8-6-5-7-9-15)31-16(10-28-12(2)24)19(29-13(3)25)21(17)30-14(4)26/h15-17,19-21H,5-10H2,1-4H3,(H,22,23)/t16-,17+,19-,20-,21-/m1/s1
C21H31NO9441.47212100
9114367

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H31NO9/c1-11(23)22-17-20(18(27)15-8-6-5-7-9-15)31-16(10-28-12(2)24)19(29-13(3)25)21(17)30-14(4)26/h15-17,19-21H,5-10H2,1-4H3,(H,22,23)/t16-,17+,19-,20+,21-/m1/s1
C21H31NO9441.47212100
123

Advertisement