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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 42 results

Search term: C42H66O16 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9832660

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/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-,37-,38-,39-,40+,41+,42-/m0/s1
C42H66O16826.9638232200
30783354

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O16/c1-37-11-13-40(4)20(21(37)15-42(14-12-37,35(51)52)36(53)54-6)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/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-,37-,38-,39-,40+,41+,42-/m0/s1
C42H66O16826.9638111000
111446

0 of 20 defined stereocentres - 0/20 defined
InChI=1/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)56-24-18-55-33(30(49)28(24)47)58-34-31(50)29(48)27(46)23(17-43)57-34/h7,21-34,43-50H,8-19H2,1-6H3,(H,51,52)
C42H66O16826.96388400
22913209

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C42H66O16/c1-19-9-14-42(36(53)58-34-31(50)29(48)27(46)22(57-34)18-55-33-30(49)28(47)26(45)21(17-43)56-33)16-15-38(3)20(32(42)41(19,6)54)7-8-23-37(2)12-11-25(44)40(5,35(51)52)24(37)10-13-39(23,38)4/h7,19,21-34,43-50,54H,8-18H2,1-6H3,(H,51,52)/t19-,21-,22-,23?,24?,25+,26-,27-,28+,29+,30-,31-,32-,33-,34+,37-,38-,39-,40-,41-,42+/m1/s1
C42H66O16826.96387400
77484132

Double-bond stereo

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C42H66O16/c1-19(16-43)6-7-22(45)20(2)21-10-12-39(4)24-8-9-25-40(5,37(53)54)26(11-13-41(25)18-42(24,41)15-14-38(21,39)3)56-36-33(30(49)29(48)32(57-36)34(51)52)58-35-31(50)28(47)27(46)23(17-44)55-35/h6,20-33,35-36,43-50H,7-18H2,1-5H3,(H,51,52)(H,53,54)/b19-6+
C42H66O16826.96386400
22912849

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C42H66O16/c1-37(35(52)54-6)11-13-42(36(53)58-34-31(51)29(49)28(48)24(17-43)56-34)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(57-33-30(50)27(47)23(46)18-55-33)39(3,19-44)25(38)9-10-41(26,40)5/h7,21-34,43-51H,8-19H2,1-6H3/t21-,22-,23+,24+,25?,26?,27-,28+,29-,30+,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1
C42H66O16826.96385400
433461

0 of 20 defined stereocentres - 0/20 defined
InChI=1/C42H66O16/c1-37(2)11-13-42(36(54)58-34-31(51)29(49)27(47)23(18-44)56-34)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(45)32(41(6,35(52)53)25(38)9-10-40(24,39)5)57-33-30(50)28(48)26(46)22(17-43)55-33/h7,20-34,43-51H,8-18H2,1-6H3,(H,52,53)
C42H66O16826.96385400
19980930

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/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-,37+,38-,39-,40+,41+,42-/m0/s1
C42H66O16826.96385500
21615442

17 of 20 defined stereocentres - 17/20 defined
InChI=1/C42H66O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20?,21-,22+,23?,24?,25+,26-,27-,28-,29+,30+,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1
C42H66O16826.96384100
58824326

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O16/c1-37(2)11-13-42(36(54)58-34-29(50)26(47)25(46)22(17-43)55-34)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)57-35-30(51)27(48)28(49)31(56-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20-,21-,22+,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,34-,35-,38-,39-,40+,41+,42-/m0/s1
C42H66O16826.96384400
101935813

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)56-24-18-55-33(30(49)28(24)47)58-34-31(50)29(48)27(46)23(17-43)57-34/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+,37-,38+,39-,40+,41+,42-/m1/s1
C42H66O16826.96383300
114928744

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/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-,37-,38-,39-,40+,41+,42-/m0/s1
C42H66O16826.96383300
23314366

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O16/c1-37(35(52)54-6)11-13-42(36(53)58-34-31(51)29(49)28(48)24(17-43)56-34)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(57-33-30(50)27(47)23(46)18-55-33)39(3,19-44)25(38)9-10-41(26,40)5/h7,21-34,43-51H,8-19H2,1-6H3/t21-,22-,23+,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-/m0/s1
C42H66O16826.96382200
23314415

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/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?,37-,38-,39-,40+,41+,42-/m0/s1
C42H66O16826.96382200
30799136

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/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+,37-,38+,39+,40-,41-,42+/m1/s1
C42H66O16826.96382100
10143378

6 of 20 defined stereocentres - 6/20 defined
InChI=1/C42H66O16/c1-37(2)11-13-42(36(54)58-34-31(51)29(49)27(47)23(18-44)56-34)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(45)32(41(6,35(52)53)25(38)9-10-40(24,39)5)57-33-30(50)28(48)26(46)22(17-43)55-33/h7,20-34,43-51H,8-18H2,1-6H3,(H,52,53)/t20?,21-,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32-,33?,34?,38+,39?,40+,41-,42-/m0/s1
C42H66O16826.96382200
8186264

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C42H66O16/c1-19-31(44)33(46)35(48)38(55-19)53-18-28-32(45)34(47)36(49)39(57-28)58-37-20(2)54-30(16-27(37)51-5)56-23-8-11-40(3)22(15-23)6-7-26-25(40)9-12-41(4)24(10-13-42(26,41)50)21-14-29(43)52-17-21/h14,19-20,22-28,30-39,44-50H,6-13,15-18H2,1-5H3/t19-,20+,22+,23-,24+,25-,26+,27-,28+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39-,40-,41+,42-/m0/s1
C42H66O16826.96382100
8503575

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C42H66O16/c1-37(2)13-15-42(36(54)58-34-29(49)26(46)25(45)20(17-43)55-34)16-14-40(5)19(24(42)32(37)51)7-8-22-38(3)11-10-23(39(4,18-44)21(38)9-12-41(22,40)6)56-35-30(50)27(47)28(48)31(57-35)33(52)53/h7,20-32,34-35,43-51H,8-18H2,1-6H3,(H,52,53)/t20-,21?,22-,23+,24?,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,38+,39+,40-,41-,42+/m1/s1
C42H66O16826.96382100
8548726

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H66O16/c1-37(2)11-13-42(36(53)54)14-12-40(5)19(20(42)15-37)7-8-24-38(3)16-21(45)32(39(4,18-44)23(38)9-10-41(24,40)6)58-35-29(50)27(48)30(31(57-35)33(51)52)56-34-28(49)26(47)25(46)22(17-43)55-34/h7,20-32,34-35,43-50H,8-18H2,1-6H3,(H,51,52)(H,53,54)/t20-,21+,22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,34+,35+,38+,39+,40-,41-,42+/m1/s1
C42H66O16826.96382100
8593451

16 of 20 defined stereocentres - 16/20 defined
InChI=1/C42H66O16/c1-37(36(53)54-6)11-13-42(35(51)52)14-12-40(4)20(21(42)15-37)7-8-26-38(2)16-22(45)32(39(3,19-44)25(38)9-10-41(26,40)5)58-33-30(49)28(47)24(18-55-33)57-34-31(50)29(48)27(46)23(17-43)56-34/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-,37-,38?,39-,40+,41+,42?/m0/s1
C42H66O16826.96382100
123

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