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: CTSLUCNDVMMDHG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9040


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
C9H13BrN2O2261.1157982057413
32790105

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)/t5-/m1/s1
C9H13BrN2O2261.11576700
32790106

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)/t5-/m0/s1
C9H13BrN2O2261.11575500
34451970

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)/i3D3
C9H10D3BrN2O2264.13422300
95775510

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)/p-1
C9H12BrN2O2260.10831100
128917790

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)/i2D3
C9H10D3BrN2O2264.13421200

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