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 6 results

Search term: PQXXNVVBWVRCCL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
429319

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H13N5O6/c12-11-14-8(20)4-5(9(21)15-11)16(2-13-4)10-7(19)6(18)3(1-17)22-10/h2-3,6-7,10,17-19H,1H2,(H3,12,14,15,20,21)/t3-,6-,7-,10-/m1/s1
C11H13N5O6311.25084400
439642

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H13N5O6/c12-11-14-8(20)4-5(9(21)15-11)16(2-13-4)10-7(19)6(18)3(1-17)22-10/h2-3,6-7,10,17-19H,1H2,(H3,12,14,15,20,21)/t3-,6-,7-,10+/m1/s1
C11H13N5O6311.25084300
439637

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H13N5O6/c12-11-14-8(20)4-5(9(21)15-11)16(2-13-4)10-7(19)6(18)3(1-17)22-10/h2-3,6-7,10,17-19H,1H2,(H3,12,14,15,20,21)/t3-,6-,7-,10-/m0/s1
C11H13N5O6311.25083200
24656915

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C11H13N5O6/c12-11-14-8(20)4-5(9(21)15-11)16(2-13-4)10-7(19)6(18)3(1-17)22-10/h2-3,6-7,10,17-19H,1H2,(H3,12,14,15,20,21)/t3-,6-,7-,10?/m1/s1
C11H13N5O6311.25083300
8533532

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C11H13N5O6/c12-11-14-8(20)4-5(9(21)15-11)16(2-13-4)10-7(19)6(18)3(1-17)22-10/h2-3,6-7,10,17-19H,1H2,(H3,12,14,15,20,21)/t3-,6+,7+,10-/m1/s1
C11H13N5O6311.25082100
98609070

1 of 4 defined stereocentres - 1/4 defined
InChI=1/C11H13N5O6/c12-11-14-8(20)4-5(9(21)15-11)16(2-13-4)10-7(19)6(18)3(1-17)22-10/h2-3,6-7,10,17-19H,1H2,(H3,12,14,15,20,21)/t3?,6?,7-,10?/m0/s1
C11H13N5O6311.25081100

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