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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 41 results

Search term: C38H50N6O5 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390016

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
C38H50N6O5670.840884184154616
54783

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26?,27?,30-,31-,32-,33+/m0/s1
C38H50N6O5670.8408161900
2816541

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)
C38H50N6O5670.8407999999981296800
409974

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33-/m0/s1
C38H50N6O5670.84088600
400204

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27-,30-,31-,32-,33+/m0/s1
C38H50N6O5670.84087600
400205

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27-,30+,31+,32+,33-/m1/s1
C38H50N6O5670.84087400
54903

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31?,32-,33+/m0/s1
C38H50N6O5670.84085400
9597362

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30+,31-,32-,33+/m0/s1
C38H50N6O5670.84085400
12285039

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H50N6O5/c1-24(2)21-40-38(49)33-19-27-13-6-7-14-28(27)22-44(33)23-34(45)31(18-25-10-4-3-5-11-25)42-37(48)32(20-35(39)46)43-36(47)30-17-16-26-12-8-9-15-29(26)41-30/h3-5,8-12,15-17,24,27-28,31-34,45H,6-7,13-14,18-23H2,1-2H3,(H2,39,46)(H,40,49)(H,42,48)(H,43,47)/t27-,28+,31-,32-,33-,34+/m0/s1
C38H50N6O5670.84084300
4513269

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C38H50N6O5/c1-7-24(4)33-36(46)39-18-16-25-12-14-27(15-13-25)49-32-17-19-44(34(32)37(47)42-33)38(48)30(41-35(45)31(43(5)6)20-23(2)3)21-26-22-40-29-11-9-8-10-28(26)29/h8-16,18,22-24,30-34,40H,7,17,19-21H2,1-6H3,(H,39,46)(H,41,45)(H,42,47)/b18-16-
C38H50N6O5670.84084500
71340806

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C38H50N6O5/c1-6-25(2)34-38(48)42-33(22-28-14-18-32(49-5)19-15-28)37(47)41-27(4)35(45)39-20-7-8-21-44(24-31-11-9-10-26(3)40-31)23-29-12-16-30(17-13-29)36(46)43-34/h9-19,25,27,33-34H,6-8,20-24H2,1-5H3,(H,39,45)(H,41,47)(H,42,48)(H,43,46)/t25-,27+,33-,34?/m0/s1
C38H50N6O5670.84084400
400203

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30+,31+,32+,33-/m1/s1
C38H50N6O5670.84084300
2272329

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31+,32-,33+/m0/s1
C38H50N6O5670.8407999999984400
84488253

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C38H50N6O5/c45-34-11-5-4-9-29(34)24-41-18-13-27-21-35(46)42-19-14-31(15-20-42)43-17-6-10-32(43)37(48)40-30-22-33(36(47)39-16-12-28(27)23-41)44(25-30)38(49)26-7-2-1-3-8-26/h1-5,7-9,11,27-28,30-33,45H,6,10,12-25H2,(H,39,47)(H,40,48)/t27-,28-,30+,32-,33+/m0/s1
C38H50N6O5670.84084200
90614896

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C38H50N6O5/c45-33-11-5-4-9-28(33)24-39-31-15-20-44-35(47)22-29-25-42(17-12-27(29)21-34(46)40-23-26-7-2-1-3-8-26)37(48)32-10-6-16-43(32)30-13-18-41(19-14-30)38(49)36(31)44/h1-5,7-9,11,27,29-32,36,39,45H,6,10,12-25H2,(H,40,46)/t27-,29-,31+,32-,36-/m0/s1
C38H50N6O5670.84084300
404595

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-34(46)21-31(35(39)47)42-36(48)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,47)(H,41,46)(H,42,48)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
C38H50N6O5670.84083300
76735898

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C38H50N6O5/c1-36(2,3)48-34(46)41-31(39)26-13-11-25(12-14-26)23-30-32-40-28-24-27(38(17-7-8-18-38)33(45)42-19-9-10-20-42)15-16-29(28)43(32)21-22-44(30)35(47)49-37(4,5)6/h11-16,24,30H,7-10,17-23H2,1-6H3,(H2,39,41,46)
C38H50N6O5670.84083300
76811070

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C38H50N6O5/c1-25(2)23-48-36(46)41-33(39)28-11-9-27(10-12-28)21-32-34-40-30-22-29(38(15-5-6-16-38)35(45)42-17-7-8-18-42)13-14-31(30)43(34)19-20-44(32)37(47)49-24-26(3)4/h9-14,22,25-26,32H,5-8,15-21,23-24H2,1-4H3,(H2,39,41,46)
C38H50N6O5670.84083300
58129774
InChI=1/C38H50N6O5/c1-36(2,3)48-34(46)41-33(42-35(47)49-37(4,5)6)40-30-19-17-28(18-20-30)25-32(45)39-27-38(43-31-15-11-8-12-16-31)21-23-44(24-22-38)26-29-13-9-7-10-14-29/h7-20,43H,21-27H2,1-6H3,(H,39,45)(H2,40,41,42,46,47)
C38H50N6O5670.84083300
58133535

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26?,27?,30-,31-,32-,33-/m0/s1
C38H50N6O5670.84083400
123

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