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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 27 results

Search term: C38H50N2O11 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390352

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23+,25-,26-,28+,29-,30+,31-,34?,35-,36+,37-,38+/m0/s1
C38H50N2O11710.81048800
68911742

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C38H50N2O11/c1-35(2,3)50-34(44)40(22-38-31(49-37(6,7)51-38)30-29(21-46-38)47-36(4,5)48-30)19-13-12-18-28(32(41)42)39-33(43)45-20-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27/h8-11,14-17,27-31H,12-13,18-22H2,1-7H3,(H,39,43)(H,41,42)/t28-,29+,30+,31-,38-/m0/s1
C38H50N2O11710.81045500
77502182

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C38H50N2O11/c1-35(2,3)50-34(44)40(22-38-31(49-37(6,7)51-38)30-29(21-46-38)47-36(4,5)48-30)19-13-12-18-28(32(41)42)39-33(43)45-20-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27/h8-11,14-17,27-31H,12-13,18-22H2,1-7H3,(H,39,43)(H,41,42)/t28-,29+,30-,31?,38-/m0/s1
C38H50N2O11710.81043200
28942733

10 of 14 defined stereocentres - 10/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23?,25-,26-,28?,29-,30?,31-,34?,35-,36+,37-,38+/m0/s1
C38H50N2O11710.81042200
49070980

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C38H50N2O11/c1-35(2,3)50-34(44)40(22-38-31(49-37(6,7)51-38)30-29(21-46-38)47-36(4,5)48-30)19-13-12-18-28(32(41)42)39-33(43)45-20-27-25-16-10-8-14-23(25)24-15-9-11-17-26(24)27/h8-11,14-17,27-31H,12-13,18-22H2,1-7H3,(H,39,43)(H,41,42)/t28?,29-,30-,31-,38+/m1/s1
C38H50N2O11710.81042200
163943

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22-,23-,25-,26-,28+,29-,30+,31-,34?,35-,36+,37?,38?/m0/s1
C38H50N2O11710.81042200
2824837

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3
C38H50N2O11710.8103999999982100
2962081

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C38H50N2O11/c1-6-39-17-35(18-50-33(45)21-9-7-8-10-25(21)40-28(43)13-19(2)32(40)44)12-11-27(49-5)37-23-14-22-26(48-4)15-36(46,29(23)30(22)51-20(3)42)38(47,34(37)39)24(16-41)31(35)37/h7-10,19,22-24,26-27,29-31,34,41,46-47H,6,11-18H2,1-5H3
C38H50N2O11710.8103999999982100
8615197

9 of 14 defined stereocentres - 9/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19?,22-,23?,25+,26+,28?,29+,30?,31-,34?,35+,36-,37+,38+/m1/s1
C38H50N2O11710.81042100
8684401

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(47-4)37-23-15-22-25(51-20(3)41)16-36(45,28(23)29(22)48-5)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19?,22-,23-,25+,26+,28-,29+,30-,31+,34?,35+,36-,37+,38+/m1/s1
C38H50N2O11710.81042100
8756039

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(51-20(3)41)37-23-15-22-25(47-4)16-36(45,28(23)29(22)48-5)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19?,22-,23-,25+,26+,28-,29+,30-,31+,34?,35+,36-,37+,38+/m1/s1
C38H50N2O11710.81042100
10276118

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(51-20(3)41)37-23-15-22-25(47-4)16-36(45,28(23)29(22)48-5)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23+,25-,26-,28+,29-,30+,31-,34?,35-,36+,37-,38+/m0/s1
C38H50N2O11710.81041100
10276119

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(47-4)37-23-15-22-25(51-20(3)41)16-36(45,28(23)29(22)48-5)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22+,23+,25-,26-,28+,29-,30+,31-,34?,35-,36+,37-,38+/m0/s1
C38H50N2O11710.81041141
17466688

10 of 14 defined stereocentres - 10/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22-,23-,25+,26?,28-,29+,30-,31+,34?,35+,36-,37?,38?/m1/s1
C38H50N2O11710.81041100
17472527

11 of 14 defined stereocentres - 11/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19?,22-,23-,25+,26?,28-,29+,30-,31+,34+,35+,36-,37?,38+/m1/s1
C38H50N2O11710.81041100
24535611

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(47-4)37-23-15-22-25(51-20(3)41)16-36(45,28(23)29(22)48-5)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19?,22-,23-,25+,26+,28-,29+,30-,31+,34?,35+,36-,37+,38-/m1/s1
C38H50N2O11710.81041100
58804040

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19-,22-,23-,25+,26?,28-,29+,30-,31+,34?,35+,36-,37-,38+/m1/s1
C38H50N2O11710.81041100
12

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