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: POBLQHUCZZQDHY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29409865

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C22H26FN6O6P/c1-12-15(19(30)16(23)18(12)29-11-27-17-20(24)25-10-26-21(17)29)9-34-36(32,28-13(2)22(31)33-3)35-14-7-5-4-6-8-14/h4-8,10-11,13,15-16,18-19,30H,1,9H2,2-3H3,(H,28,32)(H2,24,25,26)/t13-,15-,16-,18+,19+,36?/m0/s1
C22H26FN6O6P520.45062200
34526960

1 of 6 defined stereocentres - 1/6 defined
InChI=1/C22H26FN6O6P/c1-12-15(19(30)16(23)18(12)29-11-27-17-20(24)25-10-26-21(17)29)9-34-36(32,28-13(2)22(31)33-3)35-14-7-5-4-6-8-14/h4-8,10-11,13,15-16,18-19,30H,1,9H2,2-3H3,(H,28,32)(H2,24,25,26)/t13-,15?,16?,18?,19?,36?/m0/s1
C22H26FN6O6P520.45061100

Advertisement