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 5 results

Search term: XCKGFJPFEHHHQA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
96756

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,15H,1H3/b18-17+
C16H14N4O278.3086373700
21172034

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,15H,1H3
C16H14N4O278.30865400
7779440

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,15H,1H3/b18-17+/t15-/m0/s1
C16H14N4O278.30862100
7779441

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,15H,1H3/b18-17+/t15-/m1/s1
C16H14N4O278.30862100
95569587

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H14N4O/c1-12-15(18-17-13-8-4-2-5-9-13)16(21)20(19-12)14-10-6-3-7-11-14/h2-11,15H,1H3/b18-17-
C16H14N4O278.30861100

Advertisement