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: CGSFZSTXVVJLIX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
143002

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2
C16H15ClN6O3374.7817464200
8040082

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2/t15-/m0/s1
C16H15ClN6O3374.7817131100
8083262

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2/t15-/m1/s1
C16H15ClN6O3374.78172100
48058524

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2/i5D2,6D2,7D2,8D2
C16H7D8ClN6O3382.8312200
49071002

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2/i7D2,8D2
C16H11D4ClN6O3378.80632300

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