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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 36 results

Search term: C36H49NO12 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10226901

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28?,29+,30-,31+,33+,34-,35+,36-/m1/s1
C36H49NO12687.7738161500
22875154

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25+,26+,27?,28?,29+,30-,31+,33+,34-,35+,36-/m1/s1
C36H49NO12687.77389600
57257194

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25?,26+,27-,28-,29+,30-,31+,33+,34-,35+,36-/m1/s1
C36H49NO12687.77385300
3017129

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3
C36H49NO12687.7737599999984800
48391

7 of 15 defined stereocentres - 7/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22?,23?,24-,25?,26?,27-,28-,29?,30?,31+,33?,34-,35?,36-/m1/s1
C36H49NO12687.77383200
59760305

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,33+,34-,35+,36-/m1/s1
C36H49NO12687.77383300
82963956

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25?,26+,27-,28?,29+,30-,31+,33+,34-,35+,36-/m1/s1
C36H49NO12687.77383300
82966188

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,33+,34?,35+,36-/m1/s1
C36H49NO12687.77382300
114642457

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22+,23+,24+,25+,26+,27-,28?,29+,30-,31-,33+,34?,35-,36+/m1/s1
C36H49NO12687.77382200
62816770

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,33+,34-,35?,36-/m1/s1
C36H49NO12687.77382100
170428

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(41)29(49-32(40)20-12-10-9-11-13-20)24(21)36(42,31(30(34)46-7)48-19(3)39)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,41-42H,8,14-17H2,1-7H3/t21-,22+,23-,24+,25?,26-,27+,28?,29+,30-,31-,33-,34-,35?,36+/m0/s1
C36H49NO12687.77382200
58781812

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25-,26+,27-,28?,29+,30-,31+,33+,34-,35?,36-/m1/s1
C36H49NO12687.77382400
8253872

7 of 15 defined stereocentres - 7/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21?,22-,23?,24?,25?,26+,27?,28?,29+,30-,31?,33+,34-,35+,36?/m1/s1
C36H49NO12687.77382100
8253873

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C36H49NO12/c1-17-20(47-31(44)25(41)27(37)32(3,4)5)15-36(45)29(48-30(43)19-12-10-9-11-13-19)26-34(8,28(42)24(40)23(17)33(36,6)7)21(39)14-22-35(26,16-46-22)49-18(2)38/h9-13,20-22,24-27,29,39-41,45H,14-16,37H2,1-8H3/t20-,21-,22+,24+,25+,26-,27+,29-,34+,35-,36+/m0/s1
C36H49NO12687.77382100
8898624

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H49NO12/c1-22(38)37-28-31-29(26(45-34(28)40-5)21-42-18-23-10-7-6-8-11-23)47-35-33(44-19-24-12-14-25(39-4)15-13-24)32-30(48-36(2,3)49-32)27(46-35)20-41-16-9-17-43-31/h6-8,10-15,26-35H,9,16-21H2,1-5H3,(H,37,38)/t26-,27-,28-,29-,30+,31-,32+,33-,34+,35-/m1/s1
C36H49NO12687.77382100
9977401

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C36H49NO12/c1-22(38)37-28-31-29(26(45-34(28)40-5)21-42-18-23-10-7-6-8-11-23)47-35-33(44-19-24-12-14-25(39-4)15-13-24)32-30(48-36(2,3)49-32)27(46-35)20-41-16-9-17-43-31/h6-8,10-15,26-35H,9,16-21H2,1-5H3,(H,37,38)/t26-,27-,28-,29-,30+,31-,32+,33-,34-,35-/m1/s1
C36H49NO12687.77382300
31115299

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25-,26+,27-,28?,29+,30-,31+,33+,34-,35+,36-/m1/s1
C36H49NO12687.77382200
35308410

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25?,26+,27-,28?,29+,30-,31+,33+,34-,35?,36-/m1/s1
C36H49NO12687.77382300
44750235

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H49NO12/c1-8-37-16-33(17-43-4)22(47-18(2)38)14-23(44-5)35-21-15-34(42)30(48-32(41)20-12-10-9-11-13-20)24(21)36(49-19(3)39,29(40)31(34)46-7)25(28(35)37)26(45-6)27(33)35/h9-13,21-31,40,42H,8,14-17H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28+,29+,30-,31+,33+,34-,35+,36-/m1/s1
C36H49NO12687.77382100
12

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