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: c1ccc-2c(c1)Cc3c2ccc(c3)Nc4nc5c(n4C6CC(C(O6)COP(=O)(O)O)O)N=C(NC5=O)N (Found by conversion of search term to chemical structure (connectivity match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
129132

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H23N6O7P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(36-18)10-35-37(32,33)34)25-13-5-6-15-12(8-13)7-11-3-1-2-4-14(11)15/h1-6,8,16-18,30H,7,9-10H2,(H,25,26)(H2,32,33,34)(H3,24,27,28,31)/t16-,17+,18+/m0/s1
C23H23N6O7P526.43858800
19985429

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H23N6O7P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(36-18)10-35-37(32,33)34)25-13-5-6-15-12(8-13)7-11-3-1-2-4-14(11)15/h1-6,8,16-18,30H,7,9-10H2,(H,25,26)(H2,32,33,34)(H3,24,27,28,31)/p-2/t16-,17+,18+/m0/s1
C23H21N6O7P524.42371100
68023985

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H23N6O7P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(36-18)10-35-37(32,33)34)25-13-5-6-15-12(8-13)7-11-3-1-2-4-14(11)15/h1-6,8,16-18,30H,7,9-10H2,(H,25,26)(H2,32,33,34)(H3,24,27,28,31)/t16-,17+,18+/m1/s1
C23H23N6O7P526.43851100

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