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 4 results

Search term: XCAQHWQRKUEFKS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
267424

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H17N7O5/c13-8-4-5(9(14)23)11(18-15)19(10(4)17-2-16-8)12-7(22)6(21)3(1-20)24-12/h2-3,6-7,12,18,20-22H,1,15H2,(H2,14,23)(H2,13,16,17)
C12H17N7O5339.30738700
432518

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N7O5/c13-8-4-5(9(14)23)11(18-15)19(10(4)17-2-16-8)12-7(22)6(21)3(1-20)24-12/h2-3,6-7,12,18,20-22H,1,15H2,(H2,14,23)(H2,13,16,17)/t3-,6-,7-,12-/m1/s1
C12H17N7O5339.30736400
2497236

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N7O5/c13-8-4-5(9(14)23)11(18-15)19(10(4)17-2-16-8)12-7(22)6(21)3(1-20)24-12/h2-3,6-7,12,18,20-22H,1,15H2,(H2,14,23)(H2,13,16,17)/t3-,6-,7+,12-/m1/s1
C12H17N7O5339.30733300
5145891

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N7O5/c13-8-4-5(9(14)23)11(18-15)19(10(4)17-2-16-8)12-7(22)6(21)3(1-20)24-12/h2-3,6-7,12,18,20-22H,1,15H2,(H2,14,23)(H2,13,16,17)/t3-,6-,7+,12+/m1/s1
C12H17N7O5339.30732100

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