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 2 results

Search term: DPTAYQSHBQTKDP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26351407

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C56H82N8O11/c1-14-33(6)25-40-51(69)58-39(48(67)38-28-64(56(9,10)44-30-75-44)41-23-19-18-22-37(38)41)27-45(66)62(11)43(26-34(7)29-65)52(70)57-35(8)50(68)61-47(49(74-13)36-20-16-15-17-21-36)54(72)60-46(32(4)5)55(73)63(12)42(24-31(2)3)53(71)59-40/h14-23,28,31-35,39-40,42-44,46-49,65,67H,1,24-27,29-30H2,2-13H3,(H,57,70)(H,58,69)(H,59,71)(H,60,72)(H,61,68)/t33-,34+,35-,39-,40-,42-,43-,44-,46-,47-,48+,49+/m0/s1
C56H82N8O111043.29732200
59700621

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C56H82N8O11/c1-14-33(6)25-40-51(69)58-39(48(67)38-28-64(56(9,10)44-30-75-44)41-23-19-18-22-37(38)41)27-45(66)62(11)43(26-34(7)29-65)52(70)57-35(8)50(68)61-47(49(74-13)36-20-16-15-17-21-36)54(72)60-46(32(4)5)55(73)63(12)42(24-31(2)3)53(71)59-40/h14-23,28,31-35,39-40,42-44,46-49,65,67H,1,24-27,29-30H2,2-13H3,(H,57,70)(H,58,69)(H,59,71)(H,60,72)(H,61,68)/t33-,34+,35-,39-,40-,42-,43?,44-,46-,47+,48+,49+/m0/s1
C56H82N8O111043.29732100

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