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 16 results

Search term: XQSPYNMVSIKCOC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
54859

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1
C8H10FN3O3S247.24671471895592
8013489

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)
C8H10FN3O3S247.24675125400
400521

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m1/s1
C8H10FN3O3S247.2467466400
18803481

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m0/s1
C8H10FN3O3S247.2467182000
400252

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m1/s1
C8H10FN3O3S247.2467131400
25027407

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5?,6-/m1/s1
C8H10FN3O3S247.24677100
48061297

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1/i8+1,11+1,12+1
C713CH10FN15N2O3S250.226271000
9131093

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5?,6-/m0/s1
C8H10FN3O3S247.24674300
107444573

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1/i2D2,10+1
C8H8D2FN215NO3S250.25243400
107450418

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1/i2D2,6D
C8H7D3FN3O3S250.26522200
58783310

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/m1/s1/i8+1,11+1,12+1
C713CH10FN15N2O3S250.22622200
23179306

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6?/m1/s1
C8H10FN3O3S247.24672200
114394210

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1/i8+2
C714CH10FN3O3S249.23921100
114394315

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1/i1T
C8H9TFN3O3S249.25481100
114953981

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6?/m0/s1
C8H10FN3O3S247.24671100

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