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: BIRQNXWAXWLATA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8120007

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O5/c13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h2,5,7-8,11,18-20H,3H2,(H3,14,15,16,21)/t5-,7-,8-,11-/m1/s1
C12H13N5O5307.2621151200
8141927

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H13N5O5/c13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h2,5,7-8,11,18-20H,3H2,(H3,14,15,16,21)/t5-,7-,8+,11-/m1/s1
C12H13N5O5307.26213200
24657090

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H13N5O5/c13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h2,5,7-8,11,18-20H,3H2,(H3,14,15,16,21)/t5-,7-,8-,11?/m1/s1
C12H13N5O5307.26212200
10662573

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H13N5O5/c13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h2,5,7-8,11,18-20H,3H2,(H3,14,15,16,21)
C12H13N5O5307.26211100
21431119

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C12H13N5O5/c13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h2,5,7-8,11,18-20H,3H2,(H3,14,15,16,21)/t5-,7?,8-,11-/m1/s1
C12H13N5O5307.26211100

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