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: XHNWDEHKMJLKGG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4450236

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1
C6H12N4O2172.185089900
3818574

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)
C6H12N4O2172.18515300
74110487

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3?,4-/m0/s1
C6H12N4O2172.18512200
9096231

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m1/s1/i6+1
C513CH12N4O2173.17772100
30785668

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/p+1/t3-,4+/m1/s1
C6H13N4O2173.19251100
61452975

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N4O2/c7-4(5(11)12)3-1-2-9-6(8)10-3/h3-4H,1-2,7H2,(H,11,12)(H3,8,9,10)/t3-,4+/m0/s1
C6H12N4O2172.18511100

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