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: MKJAYSJDHSEFRI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4449993

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1
C9H16N2O4216.2343410900
2011

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3
C9H16N2O4216.23435200
26330280

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5+,6-,7+,8-/m0/s1
C9H16N2O4216.23434400
8688346

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1/i8D
C9H15DN2O4217.24052200
75561841

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4?,5?,6-,7?,8?/m1/s1
C9H16N2O4216.23431100
98657482

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m0/s1
C9H16N2O4216.23431100

Advertisement