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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 60 results

Search term: C28H40N2O9 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
14246

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1
C28H40N2O9548.625259612127
12032

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)
C28H40N2O9548.6252234300
17346333

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20?,23+,25+/m1/s1
C28H40N2O9548.6252211500
4925626

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23?,25+/m1/s1
C28H40N2O9548.62528700
25056884

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H40N2O9/c1-6-8-9-10-12-20-24(39-26(34)16(3)7-2)18(5)38-28(36)22(17(4)37-27(20)35)30-25(33)19-13-11-14-21(23(19)32)29-15-31/h11,13-18,20,22,24,32H,6-10,12H2,1-5H3,(H,29,31)(H,30,33)/t16-,17+,18-,20+,22-,24-/m0/s1
C28H40N2O9548.625261300
27025657

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H40N2O9/c1-7-8-9-11-20-24(39-26(34)16(4)15(2)3)18(6)38-28(36)22(17(5)37-27(20)35)30-25(33)19-12-10-13-21(23(19)32)29-14-31/h10,12-18,20,22,24,32H,7-9,11H2,1-6H3,(H,29,31)(H,30,33)/t16-,17+,18-,20+,22-,24-/m0/s1
C28H40N2O9548.62525600
5036588

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25-/m1/s1
C28H40N2O9548.62525500
23672

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C24H36N2O.2C2H2O4/c1-3-26(4-2)15-14-25-19-20(18-23-12-8-16-27-23)17-22-11-7-10-21-9-5-6-13-24(21)22;2*3-1(4)2(5)6/h5-7,9-11,13,20,23,25H,3-4,8,12,14-19H2,1-2H3;2*(H,3,4)(H,5,6)
C28H40N2O9548.6251999999985500
8052382

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C28H40N2O9/c1-6-8-9-10-12-20-24(39-26(34)16(3)7-2)18(5)38-28(36)22(17(4)37-27(20)35)30-25(33)19-13-11-14-21(23(19)32)29-15-31/h11,13-18,20,22,24,32H,6-10,12H2,1-5H3,(H,29,31)(H,30,33)/t16?,17-,18+,20-,22+,24+/m1/s1
C28H40N2O9548.62524300
9482332

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C28H40N2O9/c1-6-8-10-20-25(39-22(32)14-13-16(3)7-2)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-11-9-12-21(24(19)33)29-15-31/h9,11-12,15-18,20,23,25,33H,6-8,10,13-14H2,1-5H3,(H,29,31)(H,30,34)/t16?,17-,18+,20-,23+,25+/m1/s1
C28H40N2O9548.62524300
9641797

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H40N2O9/c1-15(2)10-12-20-25(39-22(32)13-11-16(3)4)18(6)38-28(36)23(17(5)37-27(20)35)30-26(34)19-8-7-9-21(24(19)33)29-14-31/h7-9,14-18,20,23,25,33H,10-13H2,1-6H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1
C28H40N2O9548.62524300
17464722

Double-bond stereo

3 of 9 defined stereocentres - 3/9 defined
InChI=1/C28H40N2O9/c1-26-7-5-16(29-39-14-23(35)30-12-17(32)10-20(30)25(36)37)9-15(26)3-4-18-19-6-8-28(38,22(34)13-31)27(19,2)11-21(33)24(18)26/h9,17-21,24,31-33,38H,3-8,10-14H2,1-2H3,(H,36,37)/b29-16+/t17?,18?,19?,20?,21?,24?,26-,27-,28-/m0/s1
C28H40N2O9548.62524100
21171714

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C28H40N2O9/c1-6-7-8-9-10-21-25(38-23(33)13-17(2)3)18(4)37-24(34)15-28(5,39-27(21)36)30-26(35)20-12-11-19(29-16-31)14-22(20)32/h11-12,14,16-18,21,25,32H,6-10,13,15H2,1-5H3,(H,29,31)(H,30,35)
C28H40N2O9548.625233026
29398768
InChI=1/C28H40N2O9/c1-35-25-17-21(5-7-23(25)31)19-27(33)29-9-3-11-37-13-15-39-16-14-38-12-4-10-30-28(34)20-22-6-8-24(32)26(18-22)36-2/h5-8,17-18,31-32H,3-4,9-16,19-20H2,1-2H3,(H,29,33)(H,30,34)
C28H40N2O9548.62523300
30819398

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H40N2O9/c1-14-7-17-10-18(31)11-20-25(17)38-23(21(8-14)36-5)15(2)9-16(3)24(39-27(29)34)22(37-6)12-19(32)13-28(4,35)26(33)30-20/h9-11,14-15,21-24,31,35H,7-8,12-13H2,1-6H3,(H2,29,34)(H,30,33)/b16-9+/t14-,15+,21+,22+,23-,24+,28+/m1/s1
C28H40N2O9548.62523300
9860100

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H40N2O9/c1-7-8-9-10-12-20-23(39-26(33)16(2)3)18(5)38-28(35)22(17(4)37-27(20)34)30-25(32)19-13-11-14-21(29-15-31)24(19)36-6/h11,13-18,20,22-23H,7-10,12H2,1-6H3,(H,29,31)(H,30,32)/t17-,18+,20-,22+,23+/m1/s1
C28H40N2O9548.62523100
5036929

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18-,20+,23-,25-/m0/s1
C28H40N2O9548.62523300
23304430

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H40N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,31-34H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7-,15-8+,17-12+/t14-,16+,21+,22+,23-,26+/m1/s1
C28H40N2O9548.62523300
8612921

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C28H40N2O9/c1-6-8-10-20-25(39-22(32)14-13-16(3)7-2)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-11-9-12-21(24(19)33)29-15-31/h9,11-12,15-18,20,23,25,33H,6-8,10,13-14H2,1-5H3,(H,29,31)(H,30,34)
C28H40N2O9548.62522100
21613028

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C28H40N2O9/c1-6-8-9-10-12-20-24(39-26(34)16(3)7-2)18(5)38-28(36)22(17(4)37-27(20)35)30-25(33)19-13-11-14-21(23(19)32)29-15-31/h11,13-18,20,22,24,32H,6-10,12H2,1-5H3,(H,29,31)(H,30,33)
C28H40N2O9548.62522100
123

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