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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 26 results

Search term: C37H48O6 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
332860
InChI=1/C37H48O6/c1-7-9-11-13-16-28-20-30-24(3)26(5)36(38)42-34(30)22-32(28)40-18-15-19-41-33-23-35-31(25(4)27(6)37(39)43-35)21-29(33)17-14-12-10-8-2/h20-23H,7-19H2,1-6H3
C37H48O6588.77348500
26635907

Double-bond stereo
InChI=1/C37H48O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36(38)40-23-18-19-29-24-31-27-33(43-37(31)35(25-29)39-2)30-21-22-32-34(26-30)42-28-41-32/h7-8,10-11,21-22,24-27H,3-6,9,12-20,23,28H2,1-2H3/b8-7-,11-10-
C37H48O6588.77346700
29272842

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48O6/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)43-31)17-18-37(42)35(6,7)23-30(39)24-36(37,8)41/h9-14,17-19,21,29-30,38-39,41-42H,20,22-24H2,1-8H3/b11-9+,12-10+,18-17+,25-13+,26-14+,31-19-/t29-,30+,36-,37-/m1/s1
C37H48O6588.77344400
9716388

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C37H48O6/c1-24(15-16-30-26(3)32(39)31(38)23-34(30,4)5)13-11-9-10-12-14-25(2)19-28-20-27(33(40)42-28)17-18-37-35(6,7)21-29(43-37)22-36(37,8)41/h9-20,29,31-32,38-39,41H,21-23H2,1-8H3/b11-9+,12-10+,16-15+,18-17+,24-13+,25-14+,28-19-/t29-,31-,32+,36+,37+/m0/s1
C37H48O6588.77344300
28288310

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C37H48O6/c1-23-13-19-31(40)25(3)30(39)12-10-8-7-9-11-28-24(2)21-29-34(36(4,5)22-37(29,6)42)33(28)35(43-32(41)20-14-23)26-15-17-27(38)18-16-26/h7-18,20-21,25,28-31,33-35,38-40,42H,19,22H2,1-6H3/b8-7+,11-9-,12-10-,20-14+,23-13+/t25-,28-,29+,30+,31+,33-,34-,35-,37+/m0/s1
C37H48O6588.77343300
9941788

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C37H48O6/c1-22(2)16-17-28(24(5)6)21-37(19-18-23(3)4)35(40)31(29(20-30(38)41-9)27-14-12-11-13-15-27)34(42-10)32-33(39)25(7)26(8)43-36(32)37/h11-16,18,25-26,28-29H,5,17,19-21H2,1-4,6-10H3/t25-,26-,28?,29?,37?/m1/s1
C37H48O6588.77342100
10474033

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C37H48O6/c1-25(15-16-31-33(3,4)21-28(38)23-35(31,7)41)13-11-9-10-12-14-26(2)19-30-20-27(32(40)42-30)17-18-37-34(5,6)22-29(39)24-36(37,8)43-37/h9-15,17-20,28-29,38-39,41H,21-24H2,1-8H3/b11-9+,12-10+,18-17+,25-13+,26-14+,30-19-
C37H48O6588.77342200
12285360

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C37H48O6/c1-35-18-17-31-28(30(35)13-10-26-25-12-15-32(43-34(39)40)27(25)11-14-29(26)35)9-8-24-20-37(41,19-16-23-6-4-3-5-7-23)33(42-22-38)21-36(24,31)2/h3-7,22,24-33,41H,8-15,17-18,20-21H2,1-2H3,(H,39,40)
C37H48O6588.77342200
24607934

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C37H48O6/c1-24(15-16-31-34(3,4)20-26(38)22-36(31,7)41)13-11-9-10-12-14-25(2)17-28-18-29(33(40)42-28)30-19-32-35(5,6)21-27(39)23-37(32,8)43-30/h9-15,17-19,26-27,30,38-39,41H,20-23H2,1-8H3/b11-9+,12-10+,24-13+,25-14+,28-17-/t16?,26-,27-,30?,36+,37+/m0/s1
C37H48O6588.77342200
24686244

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48O6/c1-21(2)11-13-27-20-36(19-26(24(7)8)17-23(5)6)32(41)30(31(40)25-12-14-28(38)29(39)18-25)33(42)37(34(36)43,35(27,9)10)16-15-22(3)4/h11-12,14-15,17-18,26-27,38-39,41H,7,13,16,19-20H2,1-6,8-10H3/t26-,27-,36-,37+/m0/s1
C37H48O6588.77342200
58146000

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C37H48O6/c1-21(2)11-12-26(24(7)8)19-36-20-27(17-23(5)6)35(9,10)37(34(36)43,16-15-22(3)4)33(42)30(32(36)41)31(40)25-13-14-28(38)29(39)18-25/h11,13-15,17-18,26-27,38-40H,7,12,16,19-20H2,1-6,8-10H3/t26-,27+,36+,37-/m0/s1
C37H48O6588.77342200
58163361

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C37H48O6/c1-21(2)11-12-26(24(7)8)19-36-20-27(17-23(5)6)35(9,10)37(34(36)43,16-15-22(3)4)33(42)30(32(36)41)31(40)25-13-14-28(38)29(39)18-25/h11,13-15,17-18,26-27,30,38-39H,7,12,16,19-20H2,1-6,8-10H3/t26-,27+,30?,36+,37-/m0/s1
C37H48O6588.77342200
24824878

Double-bond stereo
InChI=1/C37H48O6/c1-14-36(10,11)27-23-25(19-22-28(38)24-17-20-26(21-18-24)42-32(39)34(4,5)6)30(41-16-3)29(37(12,13)15-2)31(27)43-33(40)35(7,8)9/h14-15,17-23H,1-2,16H2,3-13H3
C37H48O6588.77341100
24825034

Double-bond stereo
InChI=1/C37H48O6/c1-14-36(10,11)27-23-28(37(12,13)15-2)31(43-33(40)35(7,8)9)26(30(27)41-16-3)21-22-29(38)24-17-19-25(20-18-24)42-32(39)34(4,5)6/h14-15,17-23H,1-2,16H2,3-13H3
C37H48O6588.77341100
28288692

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C37H48O6/c1-23-13-19-31(40)25(3)30(39)12-10-8-7-9-11-28-24(2)21-29-34(36(4,5)22-37(29,6)42)33(28)35(43-32(41)20-14-23)26-15-17-27(38)18-16-26/h7-18,20-21,25,28-31,33-35,38-40,42H,19,22H2,1-6H3/b8-7+,11-9-,12-10-,20-14+,23-13+/t25-,28-,29+,30+,31+,33-,34?,35-,37+/m0/s1
C37H48O6588.77341100
28288950

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C37H48O6/c1-24(14-20-34(41)42)13-19-33(40)26(3)32(39)12-10-8-7-9-11-29-25(2)21-31-35(36(4,5)23-37(31,6)43)30(29)22-27-15-17-28(38)18-16-27/h7-18,20-22,26,29-33,35,39-40,43H,19,23H2,1-6H3,(H,41,42)/b8-7+,11-9-,12-10-,20-14+,24-13+/t26-,29-,30-,31+,32-,33-,35+,37+/m0/s1
C37H48O6588.77341100
34947869

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C37H48O6/c1-22(2)10-12-27-21-36(18-15-24(5)6)32(41)30(31(40)26-11-13-28(38)29(39)20-26)33(42)37(34(36)43,19-16-25(7)8)35(27,9)17-14-23(3)4/h10-11,13-16,20,27,30,38-39H,12,17-19,21H2,1-9H3/t27-,30?,35+,36-,37+/m0/s1
C37H48O6588.77341100
35014272

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C37H48O6/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)43-31)17-18-37(42)35(6,7)23-30(39)24-36(37,8)41/h9-14,17-19,21,29-30,38-39,41-42H,20,22-24H2,1-8H3/b11-9+,12-10-,18-17+,25-13-,26-14+,31-19+
C37H48O6588.77341100
28282661

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C37H48O6/c1-20(2)11-13-24-26-18-25(22(5)6)34(7,8)19-36(26)31(41)29(30(40)23-12-14-27(38)28(39)17-23)32(42)37(33(36)43,35(24,9)10)16-15-21(3)4/h11-12,14-15,17,24-26,38-39,41H,5,13,16,18-19H2,1-4,6-10H3
C37H48O6588.77341100
8502155

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C37H48O6/c1-33(2)27-14-17-36(5)25-13-16-34(3)19-20-35(4,32(41)42)21-26(34)24(25)11-12-28(36)37(27,6)18-15-29(33)43-31(40)23-10-8-7-9-22(23)30(38)39/h7-12,25,27-29H,13-21H2,1-6H3,(H,38,39)(H,41,42)/t25?,27?,28?,29-,34?,35?,36-,37-/m0/s1
C37H48O6588.77341100
12

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