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 4 results

Search term: KJHICOOTWQEHPN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8677759

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C25H42O5/c1-14-10-19(28)25-15(2)6-7-16(25)20-22(3,11-17(14)25)8-9-23(20,4)12-18(27)21(29)24(5,30)13-26/h11,14-16,18-21,26-30H,6-10,12-13H2,1-5H3/t14-,15-,16-,18-,19+,20-,21-,22+,23+,24-,25+/m0/s1
C25H42O5422.5989800
8870062

11 of 11 defined stereocentres - 11/11 defined

Non-standard isotope
InChI=1/C25H42O5/c1-14-10-19(28)25-15(2)6-7-16(25)20-22(3,11-17(14)25)8-9-23(20,4)12-18(27)21(29)24(5,30)13-26/h11,14-16,18-21,26-30H,6-10,12-13H2,1-5H3/t14-,15-,16-,18-,19+,20-,21-,22+,23+,24-,25+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1,19+1,20+1,21+1,22+1,23+1,24+1,25+1
13C25H42O5447.41442100
8652761

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C25H42O5/c1-14-10-19(28)25-15(2)6-7-16(25)20-22(3,11-17(14)25)8-9-23(20,4)12-18(27)21(29)24(5,30)13-26/h11,14-16,18-21,26-30H,6-10,12-13H2,1-5H3/t14-,15-,16-,18-,19+,20-,21-,22+,23+,24-,25?/m0/s1
C25H42O5422.5982100
13181170

11 of 11 defined stereocentres - 11/11 defined

Non-standard isotope
InChI=1/C25H42O5/c1-14-10-19(28)25-15(2)6-7-16(25)20-22(3,11-17(14)25)8-9-23(20,4)12-18(27)21(29)24(5,30)13-26/h11,14-16,18-21,26-30H,6-10,12-13H2,1-5H3/t14-,15-,16-,18+,19+,20-,21+,22+,23+,24-,25+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1,19+1,20+1,21+1,22+1,23+1,24+1,25+1
13C25H42O5447.41441100

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