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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
Additional Filters

Found 10 results

Search term: C43H60N2O5 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3475188

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C43H60N2O5/c1-26(46)50-34-13-14-41(6)33(38(34,2)3)12-15-43(8)36(41)32(47)21-29-30-22-40(5,17-16-39(30,4)18-19-42(29,43)7)37(49)44-23-27-20-28(25-44)31-10-9-11-35(48)45(31)24-27/h9-11,21,27-28,30,33-34,36H,12-20,22-25H2,1-8H3
C43H60N2O5684.94689999999881200
34218279

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C43H60N2O5/c1-9-49-37(48)40(5)19-18-39(4)20-21-42(7)28(29(39)24-40)23-32(46)35-41(6)16-15-34(38(2,3)33(41)14-17-43(35,42)8)50-36(47)30(44)22-26-25-45-31-13-11-10-12-27(26)31/h10-13,23,25,29-30,33-35,45H,9,14-22,24,44H2,1-8H3/t29-,30+,33-,34-,35+,39+,40-,41-,42+,43+/m0/s1
C43H60N2O5684.94693300
76779752

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H60N2O5/c1-29(46)30-15-17-31(18-16-30)42(50)45-26-12-14-38(45)41(49)44-25-11-9-7-5-3-4-6-8-10-13-32-27-33-28-34(47)19-20-35(33)36-23-24-43(2)37(40(32)36)21-22-39(43)48/h15-20,28,32,36-40,47-48H,3-14,21-27H2,1-2H3,(H,44,49)/t32-,36-,37+,38?,39+,40-,43+/m1/s1
C43H60N2O5684.94692200
3280636

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C43H60N2O5/c1-30-12-10-23-42(3)39(37-21-19-32(26-35(46)20-18-30)27-38(37)40(47)34-15-8-5-9-16-34)22-24-43(42,49)29-45(28-36-17-11-25-50-36)41(48)44-31(2)33-13-6-4-7-14-33/h4,6-7,12-14,19,21,27,31,34-36,39,46,49H,5,8-11,15-18,20,22-26,28-29H2,1-3H3,(H,44,48)
C43H60N2O5684.94692100
3440758

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C43H60N2O5/c1-29(30-11-6-4-7-12-30)44-38(48)45(27-33-15-10-24-50-33)28-42(49)21-18-36-40(42,3)20-17-35-39(2)19-16-32(46)25-41(39)22-23-43(35,36)34(26-41)37(47)31-13-8-5-9-14-31/h4,6-7,11-12,22-23,26,29,31-33,35-36,46,49H,5,8-10,13-21,24-25,27-28H2,1-3H3,(H,44,48)
C43H60N2O5684.9468999999982100
5158015

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C43H60N2O5/c1-29(30-11-6-4-7-12-30)44-38(48)45(27-33-15-10-24-50-33)28-42(49)21-18-36-40(42,3)20-17-35-39(2)19-16-32(46)25-41(39)22-23-43(35,36)34(26-41)37(47)31-13-8-5-9-14-31/h4,6-7,11-12,22-23,26,29,31-33,35-36,46,49H,5,8-10,13-21,24-25,27-28H2,1-3H3,(H,44,48)/t29-,32?,33-,35-,36-,39-,40+,41+,42-,43-/m1/s1
C43H60N2O5684.94692100
5159521

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C43H60N2O5/c1-30-12-10-23-42(3)39(37-21-19-32(26-35(46)20-18-30)27-38(37)40(47)34-15-8-5-9-16-34)22-24-43(42,49)29-45(28-36-17-11-25-50-36)41(48)44-31(2)33-13-6-4-7-14-33/h4,6-7,12-14,19,21,27,31,34-36,39,46,49H,5,8-11,15-18,20,22-26,28-29H2,1-3H3,(H,44,48)/t31-,35+,36-,39+,42+,43-/m1/s1
C43H60N2O5684.94692100
9204013

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C43H60N2O5/c1-26(46)50-34-13-14-41(6)33(38(34,2)3)12-15-43(8)36(41)32(47)21-29-30-22-40(5,17-16-39(30,4)18-19-42(29,43)7)37(49)44-23-27-20-28(25-44)31-10-9-11-35(48)45(31)24-27/h9-11,21,27-28,30,33-34,36H,12-20,22-25H2,1-8H3/t27-,28+,30+,33+,34+,36-,39-,40?,41+,42-,43-/m1/s1
C43H60N2O5684.94692100
26380262

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H60N2O5/c1-29(46)30-15-17-31(18-16-30)42(50)45-26-12-14-38(45)41(49)44-25-11-9-7-5-3-4-6-8-10-13-32-27-33-28-34(47)19-20-35(33)36-23-24-43(2)37(40(32)36)21-22-39(43)48/h15-20,28,32,36-40,47-48H,3-14,21-27H2,1-2H3,(H,44,49)/t32-,36-,37+,38-,39+,40-,43+/m1/s1
C43H60N2O5684.94692200
129243053

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C43H60N2O5/c1-26(2)29-13-17-43(39(48)49-22-10-21-45-25-28(15-20-44)30-11-8-9-12-33(30)45)19-18-40(5)32(37(29)43)23-34-38-41(40,6)16-14-31(27(3)4)42(38,7)35(46)24-36(47)50-34/h8-9,11-12,25,29,31-32,34-35,37-38,46H,1,3,10,13-24,44H2,2,4-7H3/t29-,31-,32+,34+,35+,37+,38-,40+,41+,42+,43-/m0/s1
C43H60N2O5684.94691100

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