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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 16 results

Search term: C37H53N3O10 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22875213

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21-,22-,24+,25+,27-,28+,29-,30+,33+,34+,35-,36?,37+/m1/s1
C37H53N3O10699.83085300
23718341

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36?,37+/m1/s1
C37H53N3O10699.83082100
129158270
InChI=1/C37H53N3O10/c38-13-15-43-17-19-45-21-23-47-25-27-49-29-30-50-28-26-48-24-22-46-20-18-44-16-14-39-36(41)11-12-37(42)40-31-34-7-2-1-5-32(34)9-10-33-6-3-4-8-35(33)40/h1-8H,11-31,38H2,(H,39,41)
C37H53N3O10699.83082200
2523958

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)
C37H53N3O10699.83082100
4475548

5 of 14 defined stereocentres - 5/14 defined
InChI=1/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21?,22?,24-,25?,27?,28?,29?,30-,33?,34-,35+,36?,37-/m0/s1
C37H53N3O10699.83082200
4475549

5 of 14 defined stereocentres - 5/14 defined
InChI=1/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-26(41)14-19(2)31(38)42)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,42)(H,39,41)/t19?,21?,22?,24-,25?,27?,28?,29?,30-,33?,34-,35+,36?,37-/m0/s1
C37H53N3O10699.83082200
5045434

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C37H53N3O10/c1-5-46-34(42)32(20-25(2)3)40-33(41)16-15-28-21-30(48-36(44)39-23-27-12-8-11-26-10-6-7-14-31(26)27)22-37(49-28)17-9-13-29(50-37)24-47-35(43)38-18-19-45-4/h6-8,10-12,14,25,28-30,32H,5,9,13,15-24H2,1-4H3,(H,38,43)(H,39,44)(H,40,41)/t28-,29-,30-,32+,37+/m1/s1
C37H53N3O10699.83082100
5068573

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C37H53N3O10/c1-5-46-34(42)32(20-25(2)3)40-33(41)16-15-28-21-30(48-36(44)39-23-27-12-8-11-26-10-6-7-14-31(26)27)22-37(49-28)17-9-13-29(50-37)24-47-35(43)38-18-19-45-4/h6-8,10-12,14,25,28-30,32H,5,9,13,15-24H2,1-4H3,(H,38,43)(H,39,44)(H,40,41)/t28?,29?,30?,32-,37?/m0/s1
C37H53N3O10699.83082100
9116753

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C37H53N3O10/c1-22(2)19-26(39-35(46)50-37(6,7)8)32(44)40-28-29(42)30(43)31(48-34(28)47-21-23-15-11-9-12-16-23)33(45)38-25(24-17-13-10-14-18-24)20-27(41)49-36(3,4)5/h9-18,22,25-26,28-31,34,42-43H,19-21H2,1-8H3,(H,38,45)(H,39,46)(H,40,44)/t25-,26-,28+,29+,30-,31-,34-/m0/s1
C37H53N3O10699.83082100
9182175

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C37H53N3O10/c1-34(2,3)49-32(44)39-18-7-8-20-40(33(45)50-35(4,5)6)21-9-19-38-30(41)13-11-26-10-12-28-27(24-26)36(15-14-31(42)43)16-17-37(25-29(36)48-28)46-22-23-47-37/h10-15,24,29H,7-9,16-23,25H2,1-6H3,(H,38,41)(H,39,44)(H,42,43)/b13-11+,15-14+/t29-,36-/m1/s1
C37H53N3O10699.83082100
9225937

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C37H53N3O10/c1-22(2)19-25(39-35(46)50-37(6,7)8)31(43)40-27-28(41)29(42)30(48-34(27)47-21-24-17-13-10-14-18-24)32(44)38-26(33(45)49-36(3,4)5)20-23-15-11-9-12-16-23/h9-18,22,25-30,34,41-42H,19-21H2,1-8H3,(H,38,44)(H,39,46)(H,40,43)/t25-,26-,27?,28+,29+,30-,34-/m0/s1
C37H53N3O10699.83082100
17466965

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C37H53N3O10/c1-7-40-17-34(18-50-32(43)20-10-8-9-11-23(20)39-31(42)19(2)14-26(38)41)13-12-25(47-4)36-22-15-21-24(46-3)16-35(44,27(22)28(21)48-5)37(45,33(36)40)30(49-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,44-45H,7,12-18H2,1-6H3,(H2,38,41)(H,39,42)/t19?,21-,22-,24+,25?,27-,28+,29-,30+,33+,34+,35-,36?,37+/m1/s1
C37H53N3O10699.83081100
82387697

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C37H53N3O10/c1-37(2,3)50-34(41)13-15-44-17-19-46-21-23-48-25-26-49-24-22-47-20-18-45-16-14-38-35(42)31-11-9-29(10-12-31)28-39-40-36(43)33-27-32(33)30-7-5-4-6-8-30/h4-12,28,32-33H,13-27H2,1-3H3,(H,38,42)(H,40,43)/b39-28-
C37H53N3O10699.83081100

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