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 3 results

Search term: TYTPQOUGGMEUNY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29272404

Double-bond stereo

23 of 24 defined stereocentres - 23/24 defined
InChI=1/C50H74O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,25-26,28-42,44-45,51-52H,11-15,17-24H2,1-8H3/b10-9-/t25?,26-,28-,29-,30+,31+,32+,33+,34-,35+,36-,37+,38-,39+,40-,41-,42-,44-,45-,46+,47-,48+,49+,50+/m1/s1
C50H74O14899.11424400
17324026

Double-bond stereo

6 of 24 defined stereocentres - 6/24 defined
InChI=1/C50H74O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,25-26,28-42,44-45,51-52H,11-15,17-24H2,1-8H3/b10-9-/t25?,26-,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,44?,45?,46-,47-,48+,49+,50+/m1/s1
C50H74O14899.11423200
25023072

Double-bond stereo

6 of 24 defined stereocentres - 6/24 defined
InChI=1/C50H74O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,25-26,28-42,44-45,51-52H,11-15,17-24H2,1-8H3/b10-9-/t25u,26-,28u,29u,30u,31u,32u,33u,34u,35u,36u,37u,38u,39u,40u,41u,42u,44u,45u,46-,47-,48+,49+,50+/m1/s1
C50H74O14899.11421100

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