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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 33 results

Search term: C42H46O23 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8366845

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-18(44)7-3-16)42(59-15)64-38-31(52)27-22(47)11-19(60-40-35(56)32(53)29(50)24(13-43)62-40)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40+,41-,42-/m0/s1
C42H46O23918.800810800
10128301

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c43-13-23-29(51)34(56)39(41(60-23)63-37-31(53)27-21(48)11-20(47)12-22(27)59-36(37)17-4-8-19(46)9-5-17)65-42-38(33(55)28(50)24(14-44)61-42)64-40-35(57)32(54)30(52)25(62-40)15-58-26(49)10-3-16-1-6-18(45)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40+,41+,42+/m1/s1
C42H46O23918.80088900
58829961

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c43-13-23-29(51)34(56)39(41(60-23)63-37-31(53)27-21(48)11-20(47)12-22(27)59-36(37)17-4-8-19(46)9-5-17)65-42-38(33(55)28(50)24(14-44)61-42)64-40-35(57)32(54)30(52)25(62-40)15-58-26(49)10-3-16-1-6-18(45)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40+,41+,42+/m0/s1
C42H46O23918.80083300
8410297

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c1-15-28(49)34(55)39(42(59-15)64-38-31(52)27-22(47)11-18(44)12-23(27)61-37(38)17-5-8-20(45)21(46)10-17)65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-4-16-2-6-19(7-3-16)60-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40+,41-,42-/m0/s1
C42H46O23918.80083200
28498399

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c1-15-28(50)37(64-41-34(56)32(54)29(51)24(13-43)61-41)35(57)40(59-15)58-14-25-30(52)33(55)39(63-26(49)9-4-16-2-6-18(44)7-3-16)42(62-25)65-38-31(53)27-22(48)11-19(45)12-23(27)60-36(38)17-5-8-20(46)21(47)10-17/h2-12,15,24-25,28-30,32-35,37,39-48,50-52,54-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,37+,39+,40+,41-,42-/m0/s1
C42H46O23918.80082200
28646593

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c43-13-23-28(49)32(53)35(56)40(61-23)58-19-8-4-17(5-9-19)37-38(31(52)27-21(47)11-20(12-22(27)60-37)59-41-36(57)33(54)29(50)24(14-44)62-41)65-42-39(34(55)30(51)25(15-45)63-42)64-26(48)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-36,39-47,49-51,53-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,36-,39-,40-,41-,42+/m1/s1
C42H46O23918.80082200
28646642

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c43-13-23-28(49)32(53)35(56)40(61-23)58-19-8-4-17(5-9-19)37-38(31(52)27-21(47)11-20(12-22(27)60-37)59-41-36(57)33(54)29(50)24(14-44)62-41)65-42-39(34(55)30(51)25(15-45)63-42)64-26(48)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-36,39-47,49-51,53-57H,13-15H2/b10-3-/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,36-,39-,40-,41-,42+/m1/s1
C42H46O23918.80082200
28651076

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c43-13-23-28(49)32(53)34(55)40(61-23)58-19-8-4-17(5-9-19)37-39(31(52)27-21(47)11-20(12-22(27)60-37)59-41-35(56)33(54)29(50)24(14-44)62-41)65-42-36(57)38(30(51)25(15-45)63-42)64-26(48)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-36,38,40-47,49-51,53-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34-,35-,36-,38+,40-,41-,42+/m1/s1
C42H46O23918.80082200
10290076

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c1-15-28(49)31(52)34(55)40(59-15)58-14-25-38(64-26(48)9-4-16-2-6-18(44)7-3-16)33(54)36(57)42(63-25)65-39-30(51)27-22(47)11-19(60-41-35(56)32(53)29(50)24(13-43)62-41)12-23(27)61-37(39)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-29,31-36,38,40-47,49-50,52-57H,13-14H2,1H3/b9-4-/t15-,24+,25+,28-,29+,31+,32-,33+,34+,35+,36+,38-,40+,41+,42-/m0/s1
C42H46O23918.80082200
10290077

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c1-15-28(49)31(52)34(55)40(59-15)58-14-25-38(64-26(48)9-4-16-2-6-18(44)7-3-16)33(54)36(57)42(63-25)65-39-30(51)27-22(47)11-19(60-41-35(56)32(53)29(50)24(13-43)62-41)12-23(27)61-37(39)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-29,31-36,38,40-47,49-50,52-57H,13-14H2,1H3/b9-4+/t15-,24+,25+,28-,29+,31+,32-,33+,34+,35+,36+,38-,40+,41+,42-/m0/s1
C42H46O23918.80082200
24844559

Double-bond stereo

8 of 15 defined stereocentres - 8/15 defined
InChI=1/C42H46O23/c43-13-23-28(50)32(54)35(57)40(60-23)58-20-11-21(48)27-22(12-20)59-36(17-4-8-19(47)9-5-17)37(31(27)53)64-42-39(34(56)30(52)25(15-45)62-42)65-41-38(33(55)29(51)24(14-44)61-41)63-26(49)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24?,25?,28+,29+,30+,32?,33?,34-,35?,38?,39?,40+,41-,42-/m0/s1
C42H46O23918.80081100
24844564

Double-bond stereo

8 of 15 defined stereocentres - 8/15 defined
InChI=1/C42H46O23/c1-15-28(50)32(54)34(56)40(58-15)59-19-11-22(48)27-23(12-19)60-36(17-4-6-18(45)7-5-17)38(31(27)53)65-42-39(63-26(49)9-3-16-2-8-20(46)21(47)10-16)37(30(52)25(14-44)62-42)64-41-35(57)33(55)29(51)24(13-43)61-41/h2-12,15,24-25,28-30,32-35,37,39-48,50-52,54-57H,13-14H2,1H3/b9-3+/t15?,24?,25?,28-,29+,30+,32-,33?,34?,35?,37-,39?,40-,41-,42-/m0/s1
C42H46O23918.80081100
24844565

Double-bond stereo

8 of 15 defined stereocentres - 8/15 defined
InChI=1/C42H46O23/c1-15-28(50)31(53)33(55)40(58-15)59-19-11-22(48)27-23(12-19)60-36(17-4-6-18(45)7-5-17)38(30(27)52)64-42-35(57)39(65-41-34(56)32(54)29(51)24(13-43)61-41)37(25(14-44)62-42)63-26(49)9-3-16-2-8-20(46)21(47)10-16/h2-12,15,24-25,28-29,31-35,37,39-48,50-51,53-57H,13-14H2,1H3/b9-3+/t15?,24?,25?,28-,29+,31-,32?,33?,34+,35?,37+,39?,40-,41-,42-/m0/s1
C42H46O23918.80081100
24844573

Double-bond stereo

9 of 15 defined stereocentres - 9/15 defined
InChI=1/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)38(31(27)52)64-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15?,24-,25?,28+,29-,30-,32?,33+,34?,35?,36?,39+,40+,41+,42+/m1/s1
C42H46O23918.80081100
24844809

Double-bond stereo

8 of 15 defined stereocentres - 8/15 defined
InChI=1/C42H46O23/c1-15-28(49)31(52)34(55)40(59-15)58-14-25-38(64-26(48)9-4-16-2-6-18(44)7-3-16)33(54)36(57)42(63-25)65-39-30(51)27-22(47)11-19(60-41-35(56)32(53)29(50)24(13-43)62-41)12-23(27)61-37(39)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-29,31-36,38,40-47,49-50,52-57H,13-14H2,1H3/b9-4+/t15?,24?,25?,28-,29+,31-,32-,33?,34?,35?,36?,38-,40+,41+,42-/m0/s1
C42H46O23918.80081100
24844810

Double-bond stereo

8 of 15 defined stereocentres - 8/15 defined
InChI=1/C42H46O23/c1-15-28(49)31(52)34(55)40(59-15)58-14-25-38(64-26(48)9-4-16-2-6-18(44)7-3-16)33(54)36(57)42(63-25)65-39-30(51)27-22(47)11-19(60-41-35(56)32(53)29(50)24(13-43)62-41)12-23(27)61-37(39)17-5-8-20(45)21(46)10-17/h2-12,15,24-25,28-29,31-36,38,40-47,49-50,52-57H,13-14H2,1H3/b9-4-/t15?,24-,25?,28-,29+,31-,32?,33?,34?,35?,36?,38-,40+,41+,42-/m0/s1
C42H46O23918.80081100
115269910

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c43-13-23-28(50)32(54)35(57)40(60-23)58-20-11-21(48)27-22(12-20)59-36(17-4-8-19(47)9-5-17)37(31(27)53)64-42-39(34(56)30(52)25(15-45)62-42)65-41-38(33(55)29(51)24(14-44)61-41)63-26(49)10-3-16-1-6-18(46)7-2-16/h1-12,23-25,28-30,32-35,38-48,50-52,54-57H,13-15H2/b10-3+/t23-,24-,25-,28-,29-,30-,32+,33+,34+,35-,38-,39-,40-,41+,42+/m1/s1
C42H46O23918.80081100
115269913

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c1-15-28(50)32(54)34(56)40(58-15)59-19-11-22(48)27-23(12-19)60-36(17-4-6-18(45)7-5-17)38(31(27)53)65-42-39(63-26(49)9-3-16-2-8-20(46)21(47)10-16)37(30(52)25(14-44)62-42)64-41-35(57)33(55)29(51)24(13-43)61-41/h2-12,15,24-25,28-30,32-35,37,39-48,50-52,54-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,30+,32+,33-,34+,35+,37-,39+,40-,41-,42-/m0/s1
C42H46O23918.80081100
115269914

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c1-15-28(50)31(53)33(55)40(58-15)59-19-11-22(48)27-23(12-19)60-36(17-4-6-18(45)7-5-17)38(30(27)52)64-42-35(57)39(65-41-34(56)32(54)29(51)24(13-43)61-41)37(25(14-44)62-42)63-26(49)9-3-16-2-8-20(46)21(47)10-16/h2-12,15,24-25,28-29,31-35,37,39-48,50-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,31+,32-,33+,34+,35+,37+,39+,40-,41-,42-/m0/s1
C42H46O23918.80081100
115269918

Double-bond stereo

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C42H46O23/c1-15-28(49)34(55)39(65-41-36(57)33(54)30(51)25(63-41)14-58-26(48)9-3-16-2-8-20(45)21(46)10-16)42(59-15)60-19-11-22(47)27-23(12-19)61-37(17-4-6-18(44)7-5-17)38(31(27)52)64-40-35(56)32(53)29(50)24(13-43)62-40/h2-12,15,24-25,28-30,32-36,39-47,49-51,53-57H,13-14H2,1H3/b9-3+/t15-,24+,25+,28-,29+,30+,32-,33-,34+,35+,36+,39+,40-,41-,42-/m0/s1
C42H46O23918.80081100
12

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