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 6 results

Search term: XWFQEJIXGGKSKU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2398296

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H27NO/c1-18(2)21(23(3)4)16-17-22(24-5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,1-5H3
C22H27NO321.45588241400
1297023

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27NO/c1-18(2)21(23(3)4)16-17-22(24-5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,1-5H3/t21-/m1/s1
C22H27NO321.45592100
1297025

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27NO/c1-18(2)21(23(3)4)16-17-22(24-5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,1-5H3/t21-/m0/s1
C22H27NO321.45592100
1297022

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27NO/c1-18(2)21(23(3)4)16-17-22(24-5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,1-5H3/p+1/t21-/m1/s1
C22H28NO322.46331100
1297024

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H27NO/c1-18(2)21(23(3)4)16-17-22(24-5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,1-5H3/p+1/t21-/m0/s1
C22H28NO322.46331100
3534818

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H27NO/c1-18(2)21(23(3)4)16-17-22(24-5,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,1-5H3/p+1
C22H28NO322.463821100

Advertisement