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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 29 results

Search term: C37H44ClNO6 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10202291

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1
C37H44ClNO6634.2014424700
298950

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31-,33+,34+,35-,36?,37+/m0/s1
C37H44ClNO6634.201413900
29341493

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29?,31+,33+,34+,35-,36+,37-/m0/s1
C37H44ClNO6634.20149800
4570

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3
C37H44ClNO6634.20147300
155415

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C37H44ClNO6/c1-15-12-16-19(38)14-20-23-24-26(43-31(2,3)21-13-18(15)36(21,41)25(16)23)17-8-11-35(40)33(6,34(17,7)28(24)39-20)10-9-22-37(35)30(45-37)27-29(42-22)32(4,5)44-27/h14,17-18,21-22,26-27,29-30,39-41H,1,8-13H2,2-7H3
C37H44ClNO6634.20145500
32822040

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19-,22+,23+,27+,28-,29-,31-,33+,34-,35-,36+,37-/m1/s1
C37H44ClNO6634.20144300
17347159

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18?,19-,22-,23+,27+,28-,29+,31-,33-,34-,35+,36-,37+/m1/s1
C37H44ClNO6634.20144200
23318150

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31-,33+,34+,35-,36+,37+/m0/s1
C37H44ClNO6634.20144400
4932414

8 of 14 defined stereocentres - 8/14 defined
InChI=1/C37H44ClNO6/c1-14(2)30-29(40)32-36(45-32)23(43-30)8-9-34(7)27-18(11-16(4)37(34,36)42)31-25-24-21(39-28(25)27)13-20(38)17-10-15(3)19-12-22(33(5,6)44-31)35(19,41)26(17)24/h13,16,18-19,22-23,27,29-32,39-42H,1,3,8-12H2,2,4-7H3/t16-,18-,19?,22-,23?,27?,29+,30-,31+,32?,34-,35?,36-,37?/m1/s1
C37H44ClNO6634.20142200
5042497

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31?,33+,34+,35-,36+,37-/m0/s1
C37H44ClNO6634.20142100
8114811

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18?,19?,22-,23?,27+,28-,29+,31?,33-,34+,35+,36-,37-/m1/s1
C37H44ClNO6634.20142100
10134397

10 of 13 defined stereocentres - 10/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18?,19-,22-,23?,27+,28-,29+,31?,33-,34-,35+,36-,37+/m1/s1
C37H44ClNO6634.20142100
10135004

7 of 13 defined stereocentres - 7/13 defined
InChI=1/C37H44ClNO6/c1-15-12-16-19(38)14-20-23-24-26(43-31(2,3)21-13-18(15)36(21,41)25(16)23)17-8-11-35(40)33(6,34(17,7)28(24)39-20)10-9-22-37(35)30(45-37)27-29(42-22)32(4,5)44-27/h14,17-18,21-22,26-27,29-30,39-41H,1,8-13H2,2-7H3/t17?,18-,21?,22?,26+,27?,29?,30?,33-,34-,35+,36-,37+/m1/s1
C37H44ClNO6634.20142100
75586098

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C37H44ClNO6/c1-16(2)29-28(40)31-37(45-31)25(44-29)9-10-33(6)34(7)18(8-11-35(33,37)42)13-20-26-23(39-30(20)34)15-22(38)19-12-17(3)21-14-24(32(4,5)41)36(21,43)27(19)26/h13,15,21,24-25,28-29,31,39-43H,1,3,8-12,14H2,2,4-7H3/t21-,24-,25+,28+,29-,31-,33-,34-,35+,36-,37+/m1/s1
C37H44ClNO6634.20142200
114101318

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31-,33+,34+,35-,36+,37-/m1/s1
C37H44ClNO6634.20141100
34978404

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19?,22-,23-,27+,28-,29-,31+,33-,34+,35+,36+,37+/m0/s1
C37H44ClNO6634.20141100
67178241

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37+/m0/s1
C37H44ClNO6634.20141200
24765678

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22-,23-,27+,28+,29-,31+,33-,34+,35+,36+,37-/m0/s1
C37H44ClNO6634.20141100
12

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