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: QLOAJHDVIXGFQK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9377333

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O3/c1-7-8-18-34-28-19-24-26-13-12-25(22(4)11-9-10-21(2)3)29(26,5)16-15-27(24)30(6)17-14-23(32)20-31(28,30)33/h9,11,19,21-23,25-28,32-33H,7-8,10,12-18,20H2,1-6H3/b11-9+/t22-,23+,25-,26+,27+,28-,29-,30-,31+/m1/s1
C31H52O3472.74286500
28282659

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H52O3/c1-7-8-18-34-28-19-24-26-13-12-25(22(4)11-9-10-21(2)3)29(26,5)16-15-27(24)30(6)17-14-23(32)20-31(28,30)33/h9,11,19,21-23,25-28,32-33H,7-8,10,12-18,20H2,1-6H3/b11-9+
C31H52O3472.74281100

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