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 34 results

Search term: GBBJCSTXCAQSSJ (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65894

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1
C10H13FN2O5260.219927500
65273

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1
C10H13FN2O5260.219656400
140257

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9-/m1/s1
C10H13FN2O5260.219483670
19970289

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6?,7-,9-/m1/s1
C10H13FN2O5260.219181701
313379

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)
C10H13FN2O5260.219102600
4438469

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7+,9-/m1/s1
C10H13FN2O5260.21902328800
21430872

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7?,9-/m1/s1
C10H13FN2O5260.2197470
4435480

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9-/m0/s1
C10H13FN2O5260.21902326400
35518691

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9?/m0/s1
C10H13FN2O5260.2196700
9240285

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1/i11-1
C10H1318FN2O5259.22165600
57491848

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7+,9-/m0/s1
C10H13FN2O5260.2193400
64919854

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9?/m1/s1
C10H13FN2O5260.2193100
71116307

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6?,7+,9-/m0/s1
C10H13FN2O5260.2193300
4674872

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9+/m0/s1
C10H13FN2O5260.2193200
8952967

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1/i1-1
C911CH13FN2O5259.21983300
32700566

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1/i11-1
C10H1318FN2O5259.22163500
9645780

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7+,9+/m1/s1
C10H13FN2O5260.2193200
397028

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/i1-1
C911CH13FN2O5259.21982200
9240358

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m1/s1/i1+1
C913CH13FN2O5261.21172100
21239671

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6-,7-,9+/m0/s1
C10H13FN2O5260.2192100
12

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