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: KFFSVXGFRJRKRR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2301535

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H48O2/c1-18(20(3)27(4,5)31)16-19(2)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,6)26(23)13-15-29(24,25)7/h8,18,20,22-23,25-26,30-31H,9-17H2,1-7H3/b24-19+/t18-,20+,22+,23+,25+,26+,28+,29-/m1/s1
C29H48O2428.690220000001101100
20088177

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C29H48O2/c1-18(20(3)27(4,5)31)16-19(2)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,6)26(23)13-15-29(24,25)7/h8,18,20,22-23,25-26,30-31H,9-17H2,1-7H3/b24-19+/t18?,20?,22?,23-,25-,26-,28-,29+/m0/s1
C29H48O2428.69021100

Advertisement