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 4 results

Search term: TUFFPVGNIUQUNL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4946308

Double-bond stereo

13 of 17 defined stereocentres - 13/17 defined
InChI=1/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-27(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-28(43)54-22(3)46/h10-11,24-34,37,44-45,47-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25?,26?,27?,28-,29+,30+,31-,32+,33-,34-,37-,39+,40?,41-,42-,43+/m1/s1
C43H66O14806.97572200
5293958

Double-bond stereo

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-27(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-28(43)54-22(3)46/h10-11,24-34,37,44-45,47-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1
C43H66O14806.9757399999982200
8571023

Double-bond stereo

14 of 17 defined stereocentres - 14/17 defined
InChI=1/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-27(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-28(43)54-22(3)46/h10-11,24-34,37,44-45,47-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24?,25?,26?,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1
C43H66O14806.97572100
8923277

Double-bond stereo

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C43H66O14/c1-10-21(2)36(53)57-34-33(50)43(20-45)24(17-38(34,4)5)23-11-12-26-39(6)15-14-27(55-37-31(49)29(47)30(48)32(56-37)35(51)52)40(7,19-44)25(39)13-16-41(26,8)42(23,9)18-28(43)54-22(3)46/h10-11,24-34,37,44-45,47-50H,12-20H2,1-9H3,(H,51,52)/b21-10+/t24-,25?,26+,27-,28-,29-,30-,31+,32-,33-,34-,37+,39-,40-,41+,42+,43-/m0/s1
C43H66O14806.97572100

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