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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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Isotopically Labeled
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Found 43 results

Search term: C28H36O15 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28072

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
C28H36O15612.57647710000
4642521

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22?,23+,24-,25+,26?,27-,28+/m0/s1
C28H36O15612.576410900
16498827

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H36O15/c1-11-21(34)23(36)26(28(40-11)43-25-24(37)22(35)19(10-29)42-27(25)38)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28-/m0/s1
C28H36O15612.5764971211
4298

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3
C28H36O15612.57648400
79413380

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27?,28+/m0/s1
C28H36O15612.57648600
82827001

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C28H36O15/c1-28(38)6-11-3-10-4-12(39-2)5-14(18(10)21(33)17(11)13(30)7-28)41-27-25(37)23(35)20(32)16(43-27)9-40-26-24(36)22(34)19(31)15(8-29)42-26/h3-5,15-16,19-20,22-27,29,31-38H,6-9H2,1-2H3/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-,28?/m1/s1
C28H36O15612.57645400
9517453

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H36O15/c1-39-26-16(40-27-24(37)22(35)20(33)18(10-29)42-27)8-13(15(32)7-4-12-2-5-14(31)6-3-12)9-17(26)41-28-25(38)23(36)21(34)19(11-30)43-28/h2-3,5-6,8-9,18-25,27-31,33-38H,4,7,10-11H2,1H3/t18-,19-,20-,21-,22+,23+,24-,25-,27-,28-/m1/s1
C28H36O15612.57644300
68894988

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m1/s1
C28H36O15612.57643300
138780

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C28H36O15/c29-9-14-8-17(15-6-7-38-12-16(14)15)41-28(25(36)23(35)21(33)19(11-31)42-28)43-27-24(22(34)20(32)18(10-30)39-27)40-26(37)13-4-2-1-3-5-13/h1-8,15-25,27,29-36H,9-12H2/t15-,16-,17?,18+,19-,20+,21+,22-,23-,24+,25+,27-,28+/m0/s1
C28H36O15612.57642200
353678

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H36O15/c1-37-17-9-15(10-18(38-2)20(17)31)25(35)40-12-28(36)13-41-27(24(28)34)43-23-22(33)21(32)19(11-29)42-26(23)39-8-7-14-3-5-16(30)6-4-14/h3-6,9-10,19,21-24,26-27,29-34,36H,7-8,11-13H2,1-2H3
C28H36O15612.57642200
24666234

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H36O15/c1-37-17-9-15(10-18(38-2)20(17)30)25(35)41-12-28(36)13-42-27(24(28)34)40-11-19-21(31)22(32)23(33)26(43-19)39-8-7-14-3-5-16(29)6-4-14/h3-6,9-10,19,21-24,26-27,29-34,36H,7-8,11-13H2,1-2H3/t19-,21-,22+,23-,24+,26-,27-,28-/m1/s1
C28H36O15612.57642200
62565034

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21+,22-,23-,24-,25-,26-,27+,28-/m1/s1
C28H36O15612.57642200
62565036

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22-,23+,24-,25+,26-,27-,28+/m0/s1
C28H36O15612.57642200
9585834

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H36O15/c1-13(29)35-11-19-22(37-14(2)30)24(38-15(3)31)25(39-16(4)32)28(41-19)43-23-20(33)21-18(40-27(23)34-5)12-36-26(42-21)17-9-7-6-8-10-17/h6-10,18-28,33H,11-12H2,1-5H3/t18-,19-,20+,21-,22+,23-,24+,25-,26-,27+,28-/m1/s1
C28H36O15612.57642100
9702124

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C28H36O15/c1-37-16-6-3-14(4-7-16)25(35)40-12-28(36)13-41-27(24(28)34)39-11-20-21(31)22(32)23(33)26(43-20)42-18-8-5-15(17(30)10-29)9-19(18)38-2/h3-9,17,20-24,26-27,29-34,36H,10-13H2,1-2H3/t17?,20-,21-,22+,23-,24+,26-,27-,28-/m1/s1
C28H36O15612.57642100
9976559

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H36O15/c1-37-17-9-15(10-18(38-2)20(17)31)25(35)40-12-28(36)13-41-27(24(28)34)43-23-22(33)21(32)19(11-29)42-26(23)39-8-7-14-3-5-16(30)6-4-14/h3-6,9-10,19,21-24,26-27,29-34,36H,7-8,11-13H2,1-2H3/t19-,21-,22+,23-,24+,26-,27+,28-/m1/s1
C28H36O15612.57642100
8408133

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H36O15/c1-11-21(33)23(35)25(37)27(41-11)40-10-19-22(34)24(36)26(38)28(43-19)42-13-8-16(31)20(17(32)9-13)14(29)5-3-12-4-6-18(39-2)15(30)7-12/h4,6-9,11,19,21-28,30-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
C28H36O15612.57642100
8802944

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C28H36O15/c1-13(29)34-11-17-21(36-14(2)30)23(37-15(3)31)24-27(39-17)43-28(4,42-24)41-22-19(32)26(33-5)38-18-12-35-25(40-20(18)22)16-9-7-6-8-10-16/h6-10,17-27,32H,11-12H2,1-5H3/t17-,18-,19-,20-,21-,22-,23+,24-,25?,26+,27-,28+/m1/s1
C28H36O15612.57642100
9344552

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H36O15/c1-13(29)35-11-19-22(37-14(2)30)24(38-15(3)31)25(39-16(4)32)28(41-19)43-23-20(33)21-18(40-27(23)34-5)12-36-26(42-21)17-9-7-6-8-10-17/h6-10,18-28,33H,11-12H2,1-5H3/t18-,19-,20+,21+,22-,23-,24+,25-,26+,27+,28-/m1/s1
C28H36O15612.57642100
9390712

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H36O15/c1-13(29)35-11-18-22(37-14(2)30)24(38-15(3)31)25(39-16(4)32)28(41-18)43-23-20(33)27(34-5)40-19-12-36-26(42-21(19)23)17-9-7-6-8-10-17/h6-10,18-28,33H,11-12H2,1-5H3/t18-,19-,20-,21+,22-,23-,24+,25-,26+,27+,28-/m1/s1
C28H36O15612.57642100
123

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