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 3 results

Search term: XBPSSZRZTKCRBJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11888431

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H23N5O4/c1-14-5-2-8-27-20(14)26-21-18(23(27)30)11-17(22(29)25-12-15-6-3-9-31-15)19(24)28(21)13-16-7-4-10-32-16/h2-3,5-6,8-9,11,16,24H,4,7,10,12-13H2,1H3,(H,25,29)
C23H23N5O4433.4598251800
2202274

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H23N5O4/c1-14-5-2-8-27-20(14)26-21-18(23(27)30)11-17(22(29)25-12-15-6-3-9-31-15)19(24)28(21)13-16-7-4-10-32-16/h2-3,5-6,8-9,11,16,24H,4,7,10,12-13H2,1H3,(H,25,29)/b24-19+
C23H23N5O4433.459825300
3939758

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C23H23N5O4/c1-14-5-2-8-27-20(14)26-21-18(23(27)30)11-17(22(29)25-12-15-6-3-9-31-15)19(24)28(21)13-16-7-4-10-32-16/h2-3,5-6,8-9,11,16,24H,4,7,10,12-13H2,1H3,(H,25,29)/p+1
C23H24N5O4434.46722100

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