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
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Found 8 results

Search term: CTDUJDNZPPZTAV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65161

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12FN5O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+/m0/s1
C10H12FN5O2253.233212200
19970238

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12FN5O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6-,7-/m1/s1
C10H12FN5O2253.2338700
422061

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12FN5O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+/m1/s1
C10H12FN5O2253.2334300
446551

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C10H12FN5O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5?,6-,7-/m1/s1
C10H12FN5O2253.2332200
9109271

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12FN5O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6-,7-/m1/s1/i1D/t1?,5-,6-,7-
C10H11DFN5O2254.23912200
9174779

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C10H12FN5O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6+,7+/m0/s1/i1D/t1?,5-,6+,7+
C10H11DFN5O2254.23912200
10440093

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C10H12FN5O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)
C10H12FN5O2253.2332500
114812427

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C10H12FN5O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H2,12,13,14)/t5-,6-,7+/m0/s1
C10H12FN5O2253.2331100

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