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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 78 results

Search term: C42H66O15 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8899432

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)57-33-31(48)29(46)24(19-54-33)56-34-32(49)30(47)28(45)23(18-43)55-34/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)/t22-,23+,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1
C42H66O15810.9644211900
22913168

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C42H66O15/c1-19-9-14-41(37(53)57-35-33(50)31(48)29(46)23(18-44)55-35)15-16-42(36(51)52)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)56-34-32(49)30(47)28(45)22(17-43)54-34/h7,19-20,22-35,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23-,24?,25?,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1
C42H66O15810.964411800
390494

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H66O15/c1-37(2)13-15-42(36(53)57-34-32(50)30(48)28(46)23(19-44)55-34)16-14-39(4)20(21(42)17-37)7-8-24-38(3)11-10-26(41(6,35(51)52)25(38)9-12-40(24,39)5)56-33-31(49)29(47)27(45)22(18-43)54-33/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34-,38+,39+,40+,41-,42-/m0/s1
C42H66O15810.96448700
390484

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O15/c1-37-13-14-38(2,36(52)53)17-21(37)20-7-8-24-39(3)11-10-25(40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37)55-35-32(29(48)28(47)31(56-35)33(50)51)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35+,37+,38+,39-,40+,41+,42+/m0/s1
C42H66O15810.96447600
23340017

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O15/c1-19-9-14-41(37(53)57-35-33(50)31(48)29(46)23(18-44)55-35)15-16-42(36(51)52)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)56-34-32(49)30(47)28(45)22(17-43)54-34/h7,19-20,22-35,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41+,42-/m1/s1
C42H66O15810.96446600
84487413

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C42H66O15/c1-19-9-14-42(37(53)57-35-31(49)28(46)27(45)22(17-43)54-35)16-15-40(5)21(26(42)20(19)2)7-8-24-38(3)12-11-25(39(4,18-44)23(38)10-13-41(24,40)6)55-36-32(50)29(47)30(48)33(56-36)34(51)52/h7,19-20,22-33,35-36,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23?,24?,25+,26+,27-,28+,29+,30+,31-,32-,33+,35+,36-,38+,39+,40-,41-,42+/m1/s1
C42H66O15810.96445300
10259058

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H66O15/c1-37(2)13-15-42(36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-31(50)28(47)29(48)32(56-35)33(51)52/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30+,31+,32-,34-,35+,38-,39-,40+,41+,42-/m0/s1
C42H66O15810.96445500
21615430

16 of 19 defined stereocentres - 16/19 defined
InChI=1/C42H66O15/c1-37(2)13-15-42(36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-31(50)28(47)29(48)32(56-35)33(51)52/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21?,22-,23?,24?,25+,26-,27+,28+,29+,30-,31-,32+,34+,35-,38+,39+,40-,41-,42+/m1/s1
C42H66O15810.96444100
90615845

17 of 19 defined stereocentres - 17/19 defined
InChI=1/C42H66O15/c1-37(36(52)53-6)13-15-42(35(50)51)16-14-40(4)21(22(42)17-37)7-8-26-38(2)11-10-27(39(3,20-44)25(38)9-12-41(26,40)5)57-33-31(48)29(46)24(19-54-33)56-34-32(49)30(47)28(45)23(18-43)55-34/h7,22-34,43-49H,8-20H2,1-6H3,(H,50,51)/t22-,23+,24+,25?,26?,27-,28+,29-,30-,31+,32+,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1
C42H66O15810.96444200
25051797

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H66O15/c1-8-22(18(2)3)25(44)15-19(4)27-30(46)31(47)28-23-10-9-20-16-21(11-13-41(20,5)24(23)12-14-42(27,28)6)54-40-37(34(50)33(49)36(56-40)38(52)53-7)57-39-35(51)32(48)29(45)26(17-43)55-39/h18-24,26,28-29,32-37,39-40,43,45-46,48-51H,8-17H2,1-7H3/t19-,20+,21+,22-,23-,24+,26-,28+,29-,32+,33+,34+,35-,36+,37-,39+,40-,41+,42-/m1/s1
C42H66O15810.96444400
35015035

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C42H66O15/c1-19(2)9-12-26-42(18-43)27(34(50)55-26)21-10-11-24-39(6)15-14-25(38(4,5)23(39)13-16-40(24,7)41(21,8)37(51)57-42)56-36-33(49)31(47)29(45)22(54-36)17-52-35-32(48)30(46)28(44)20(3)53-35/h9,20-33,35-36,43-49H,10-18H2,1-8H3/t20-,21+,22+,23?,24?,25-,26+,27+,28-,29+,30+,31-,32+,33+,35+,36-,39-,40+,41-,42-/m0/s1
C42H66O15810.96444400
22913877

15 of 19 defined stereocentres - 15/19 defined
InChI=1/C42H66O15/c1-37(2)23-9-12-41(6)24(39(23,4)11-10-25(37)55-35-31(50)28(47)29(48)32(56-35)33(51)52)8-7-20-21-17-38(3,19-44)13-15-42(21,16-14-40(20,41)5)36(53)57-34-30(49)27(46)26(45)22(18-43)54-34/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52)/t21?,22-,23?,24?,25+,26-,27+,28+,29+,30-,31-,32+,34+,35-,38?,39+,40-,41-,42+/m1/s1
C42H66O15810.96443100
90615875

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C42H66O15/c1-19-10-15-42(36(52)57-34-29(48)26(45)25(44)21(18-43)54-34)17-16-39(5)20(32(42)41(19,7)53)8-9-23-38(4)13-12-24(37(2,3)22(38)11-14-40(23,39)6)55-35-30(49)27(46)28(47)31(56-35)33(50)51/h8,19,21-32,34-35,43-49,53H,9-18H2,1-7H3,(H,50,51)/t19-,21-,22?,23?,24+,25-,26+,27+,28+,29-,30-,31+,32-,34+,35-,38+,39-,40-,41-,42+/m1/s1
C42H66O15810.96443100
10269643

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O15/c1-36(2)22-8-11-38(4)23(16-19(45)25-32-41(7,52)40(6)13-15-42(32,35(51)57-40)14-12-39(25,38)5)37(22,3)10-9-24(36)55-34-31(29(49)27(47)21(18-44)54-34)56-33-30(50)28(48)26(46)20(17-43)53-33/h19-24,26-31,33-34,43-50,52H,8-18H2,1-7H3/t19-,20-,21-,22+,23-,24+,26-,27-,28+,29+,30-,31-,33+,34+,37+,38-,39-,40+,41+,42-/m1/s1
C42H66O15810.96443300
8804589

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H66O15/c1-20-35(44)28(46-6)14-33(51-20)55-37-22(3)53-34(16-30(37)48-8)56-36-21(2)52-32(15-29(36)47-7)54-27-13-23-9-10-25-24(39(23,4)17-26(27)43)11-12-41-19-50-40(5)38(41)31(18-49-40)57-42(25,41)45/h9,20-22,24-38,43-45H,10-19H2,1-8H3/t20-,21-,22+,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38-,39+,40-,41+,42-/m1/s1
C42H66O15810.96442100
8828313

18 of 19 defined stereocentres - 18/19 defined
InChI=1/C42H66O15/c1-37(2)13-15-42(36(52)53)16-14-40(5)20(21(42)17-37)7-8-24-38(3)11-10-25(39(4,19-44)23(38)9-12-41(24,40)6)55-35-32(28(47)26(45)22(18-43)54-35)57-34-30(49)27(46)29(48)31(56-34)33(50)51/h7,21-32,34-35,43-49H,8-19H2,1-6H3,(H,50,51)(H,52,53)/t21-,22+,23?,24+,25-,26+,27-,28-,29-,30+,31-,32+,34-,35-,38-,39-,40+,41+,42-/m0/s1
C42H66O15810.96442100
8852192

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H66O15/c1-19-10-15-42(36(52)57-34-29(48)26(45)25(44)21(18-43)54-34)17-16-39(5)20(32(42)41(19,7)53)8-9-23-38(4)13-12-24(37(2,3)22(38)11-14-40(23,39)6)55-35-30(49)27(46)28(47)31(56-35)33(50)51/h8,19,21-32,34-35,43-49,53H,9-18H2,1-7H3,(H,50,51)/t19-,21-,22?,23-,24+,25-,26+,27+,28+,29-,30-,31+,32-,34+,35-,38+,39-,40-,41-,42+/m1/s1
C42H66O15810.96442100
8875933

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H66O15/c1-37(2)11-13-42(36(52)53)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(46)33(39(4,19-45)25(38)9-10-41(26,40)6)57-35-32(30(50)28(48)24(18-44)55-35)56-34-31(51)29(49)27(47)23(17-43)54-34/h7-8,22-35,43-51H,9-19H2,1-6H3,(H,52,53)/t22-,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1
C42H66O15810.96442100
8899431

16 of 19 defined stereocentres - 16/19 defined
InChI=1/C42H66O15/c1-37(2)12-14-42(36(53)57-35-31(50)29(48)27(46)22(56-35)18-54-34-30(49)28(47)26(45)21(17-43)55-34)15-13-40(6)19(25(42)33(37)52)8-9-24-39(5)16-20(44)32(51)38(3,4)23(39)10-11-41(24,40)7/h8,20-32,34-35,43-51H,9-18H2,1-7H3/t20-,21-,22-,23?,24-,25?,26-,27-,28+,29+,30-,31-,32-,34-,35+,39+,40-,41-,42?/m1/s1
C42H66O15810.96442100
1234

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