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 8 results

Search term: FNXPTCITVCRFRK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
87446

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4-,5-,8-/m1/s1
C10H14N6O5298.25544657500
228046

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)
C10H14N6O5298.2554417200
29787121

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4?,5?,8-/m1/s1
C10H14N6O5298.25545400
23977371

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4?,5+,8-/m1/s1
C10H14N6O5298.25543300
77498905

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4+,5+,8-/m1/s1/i3+1,6+1,13+1
C813C2H14N515NO5301.23413500
35518755

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4+,5?,8-/m1/s1
C10H14N6O5298.25542300
82825512

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4+,5+,8-/m1/s1
C10H14N6O5298.25541200
129165878

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4-,5+,8+/m0/s1
C10H14N6O5298.25541100

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