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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 119 results

Search term: C43H58N4O12 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10468813

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.9402851481568167
24836345

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11-,19-14-,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.9402324800
4529237

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11-,19-14+,22-13+,28-20+/t21-,23-,24-,25-,29-,34+,35+,39-,43-/m0/s1
C43H58N4O12822.940292500
21112299

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)41(54)45-33-27(20-44-47-17-15-46(8)16-18-47)37(51)30-31(38(33)52)36(50)26(6)39-32(30)40(53)43(7,59-39)58-19-14-28(56-9)23(3)29(42(55)57-10)24(4)35(49)25(5)34(21)48/h11-14,19-21,23-25,28-29,34-35,48-52H,15-18H2,1-10H3,(H,45,54)/b12-11+,19-14+,22-13-,44-20+
C43H58N4O12822.9402721012053
32821798

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.94026500
23975891

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11-,19-14-,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.94025400
116623

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C43H58N4O12/c1-25-21-33-41(52,38(25)51)23-29(24-56-27(3)48)22-30-37-40(5,6)43(37,58-28(4)49)39(26(2)42(30,33)53)57-34(50)17-15-13-11-9-8-10-12-14-16-20-46(7)31-18-19-32(47(54)55)36-35(31)44-59-45-36/h18-19,21-22,26,30,33,37,39,52-53H,8-17,20,23-24H2,1-7H3/t26-,30+,33-,37-,39-,41-,42-,43-/m1/s1
C43H58N4O12822.94024400
21160093

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20u/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.94024300
21613642

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-53H,15-18H2,1-10H3/b12-11+,19-14+,22-13-,28-20-,45-33+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.94024300
58837282

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21?,23-,24-,25-,29+,34+,35-,39-,43+/m1/s1
C43H58N4O12822.94024400
74854301

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11-,19-14-,22-13-,44-20-/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m1/s1
C43H58N4O12822.94024400
24958604

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)
C43H58N4O12822.94024400
25071109

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11-,19-14-,22-13-,44-20+
C43H58N4O12822.94024200
29353995

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23?,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.940241600
25021349

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11-,19-14-,22-13u,44-20+
C43H58N4O12822.94023400
76800078

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-11-10-12-22(2)42(56)45-33-29(19-44-47-16-14-46(9)15-17-47)37(53)30-31(38(33)54)36(52)26(6)40-32(30)41(55)43(8,59-40)57-18-13-28(20-48)23(3)39(58-27(7)49)25(5)35(51)24(4)34(21)50/h10-13,18-19,21,23-25,28,34-35,39,48,50-54H,14-17,20H2,1-9H3,(H,45,56)/b11-10+,18-13+,22-12-,44-19+/t21-,23+,24+,25+,28+,34-,35+,39+,43-/m0/s1
C43H58N4O12822.94023400
114392631

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39?,43-/m0/s1
C43H58N4O12822.94023300
60599359

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13+,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1
C43H58N4O12822.94023300
5220355

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)41(54)45-33-27(20-44-47-17-15-46(8)16-18-47)37(51)30-31(38(33)52)36(50)26(6)39-32(30)40(53)43(7,59-39)58-19-14-28(56-9)23(3)29(42(55)57-10)24(4)35(49)25(5)34(21)48/h11-14,19-21,23-25,28-29,34-35,44,48-50,52H,15-18H2,1-10H3,(H,45,54)
C43H58N4O12822.94023200
5245727

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)
C43H58N4O12822.94023200
12345

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