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 8 results

Search term: JXPGQFKJNKWDKP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
694204

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)
C16H28O2252.3923382700
18542870

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/t12-,13-,14-,15-
C16H28O2252.3923272300
19023140

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/t12?,13?,14-,15-
C16H28O2252.3923221400
2864975

Charge

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/p-1
C16H27O2251.384382100
48069452

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/t12-,13?,14?,15-
C16H28O2252.39231100
113607273

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)/t12?,13?,14-,15+
C16H28O2252.39231100

Advertisement