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: AJZHNAVVTAKKNR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7987311

Double-bond stereo

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C51H79NO13/c1-29-15-12-11-13-16-30(2)41(61-8)27-37-21-19-35(7)51(60,65-37)50(59)44-18-14-17-38(52(44)49(50)58)48(57)64-42(32(4)25-36-20-22-39(53)43(26-36)62-9)28-40(54)31(3)24-34(6)46(56)47(63-10)45(55)33(5)23-29/h11-13,15-16,24,29,31-33,35-39,41-44,46-47,53,56,59-60H,14,17-23,25-28H2,1-10H3/b13-11+,15-12-,30-16+,34-24+/t29-,31-,32-,33-,35-,36+,37?,38+,39-,41+,42+,43-,44?,46-,47+,50-,51-/m1/s1
C51H79NO13914.17192100
8138525

Double-bond stereo

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C51H79NO13/c1-29-15-12-11-13-16-30(2)41(61-8)27-37-21-19-35(7)51(60,65-37)50(59)44-18-14-17-38(52(44)49(50)58)48(57)64-42(32(4)25-36-20-22-39(53)43(26-36)62-9)28-40(54)31(3)24-34(6)46(56)47(63-10)45(55)33(5)23-29/h11-13,15-16,24,29,31-33,35-39,41-44,46-47,53,56,59-60H,14,17-23,25-28H2,1-10H3/b13-11+,15-12-,30-16+,34-24+/t29-,31-,32-,33-,35-,36+,37+,38+,39-,41+,42+,43-,44-,46-,47+,50-,51-/m1/s1
C51H79NO13914.17192100

Advertisement