Matches any text strings used to describe a molecule.
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 29 results

Search term: AQXXGIBOZQZSAT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4944940

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39-,40-,41-,42-,45-/m1/s1
C45H73NO14852.05947600
58190364

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16-,24-19+,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39+,40-,41-,42-,45-/m1/s1
C45H73NO14852.05947600
49697266

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14-,23-16-,24-19-,35-20+/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39-,40-,41-,42-,45-/m1/s1
C45H73NO14852.05943100
58190365

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16-,24-19+,35-20?/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39+,40-,41-,42-,45-/m1/s1
C45H73NO14852.05942200
115285109

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19-,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39-,40-,41-,42-,45-/m1/s1
C45H73NO14852.05942200
8616023

Double-bond stereo

8 of 18 defined stereocentres - 8/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25?,26?,27-,28?,29?,30?,31-,32-,33-,34?,36-,37+,38?,39?,40?,41?,42-,45+/m1/s1
C45H73NO14852.05942100
45743359

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14-,23-16-,24-19-,35-20+/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39+,40-,41-,42-,45-/m1/s1
C45H73NO14852.05942100
339350

Double-bond stereo

5 of 18 defined stereocentres - 5/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/t25?,26-,27?,28+,29+,30?,31?,32?,33?,34?,36-,37?,38?,39-,40?,41?,42?,45?/m1/s1
C45H73NO14852.05942100
2930700

Double-bond stereo

0 of 18 defined stereocentres - 0/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)
C45H73NO14852.0594199999982100
4579202

Double-bond stereo

5 of 18 defined stereocentres - 5/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25?,26-,27?,28+,29+,30?,31?,32?,33?,34?,36-,37?,38?,39-,40?,41?,42?,45?/m1/s1
C45H73NO14852.05942200
103846877

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38-,39+,40-,41-,42-,45-/m1/s1
C45H73NO14852.05942200
111307009

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14-,23-16-,24-19-,35-20+/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38-,39+,40-,41-,42-,45-/m0/s1
C45H73NO14852.05941100
111307884

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14-,23-16-,24-19-,35-20+/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38-,39+,40-,41-,42-,45-/m1/s1
C45H73NO14852.05941100
111319293

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14-,23-16-,24-19-,35-20+/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39-,40-,41+,42-,45-/m0/s1
C45H73NO14852.05941100
113613589

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39+,40-,41-,42-,45-/m1/s1
C45H73NO14852.05941100
117033216

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39-,40-,41+,42-,45-/m1/s1
C45H73NO14852.05941100
118210168

Double-bond stereo

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38-,39?,40-,41-,42-,45-/m1/s1
C45H73NO14852.05941100
129308789

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13u,17-14-,23-16-,24-19-,35-20+/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39-,40-,41-,42-,45-/m1/s1
C45H73NO14852.05941100
64860119

Double-bond stereo

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14-,23-16-,24-19-,35-20+/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37+,38+,39-,40-,41+,42-,45-/m1/s1
C45H73NO14852.05941100
12

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