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 7 results

Search term: JEHAMBABWZFXRB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
140908

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3
C44H66O17866.98462100
4531948

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11-,27-16-,28-18+/t25-,29-,30+,31+,32-,33+,34-,35+,40+,43+,44-/m1/s1
C44H66O17866.98462200
4945160

Double-bond stereo

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11-,27-16+,28-18-
C44H66O17866.98462200
5008235

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11-,27-16+,28-18+/t25-,29-,30+,31+,32-,33+,34-,35+,40+,43+,44-/m1/s1
C44H66O17866.98462100
23327165

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11+,27-16+,28-18+/t25-,29-,30+,31-,32-,33+,34-,35+,40+,43+,44-/m1/s1
C44H66O17866.98462200
29214082

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11+,27-16+,28-18+/t25-,29-,30+,31+,32-,33+,34-,35+,40+,43+,44-/m1/s1
C44H66O17866.98462400
32774916

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C44H66O17/c1-24(2)13-38(50)59-35-22-32-19-29(47)20-39(51)58-34(25(3)45)21-31-17-28(18-37(49)55-10)40(56-26(4)46)44(53,61-31)41(5,6)12-11-30-14-27(16-36(48)54-9)15-33(57-30)23-43(52,60-32)42(35,7)8/h11-12,16,18,24-25,29-35,40,45,47,52-53H,13-15,17,19-23H2,1-10H3/b12-11+,27-16-,28-18+/t25-,29-,30+,31+,32-,33+,34-,35+,40+,43+,44-/m1/s1
C44H66O17866.98461100

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