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 23 results

Search term: DTFAJAKTSMLKAT (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10446703

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6-
C6H14N2O3162.187274316665
176206

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6?
C6H14N2O3162.187121600
89384

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2
C6H14N2O3162.187911901
394480

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+1/t2-,3+,4+,5-,6-
C6H15N2O3163.19443200
395461

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5-,6-
C6H16N2O3164.20173200
31042916

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4-,5-,6+/m0/s1
C6H14N2O3162.1873100
59700795

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5+,6-/m0/s1
C6H14N2O3162.1872100
61657109

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5+,6+/m0/s1
C6H14N2O3162.1872100
61697436

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4-,5-,6+/m1/s1
C6H14N2O3162.1872100
4364638

Charge

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+1
C6H15N2O3163.19492200
8165157

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6?/i1D2
C6H12D2N2O3164.19932100
8329701

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4-,5-,6?/m1/s1
C6H14N2O3162.1872100
10146503

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6-/i4D,11+2/m0/s1
C6H13DN2O218O165.19292200
10146523

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6-/i4D/m0/s1
C6H13DN2O3163.19312200
75110328

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4-,5+,6+
C6H14N2O3162.1871100
75739820

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3?,4?,5-,6+/m1/s1
C6H14N2O3162.1871100
110426691

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4-,5-,6-/m1/s1
C6H14N2O3162.1871100
110551986

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5+,6+/m1/s1
C6H14N2O3162.1871100
110556498

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3-,4-,5+,6?/m1/s1
C6H14N2O3162.1871100
61662871

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4-,5+,6-
C6H14N2O3162.1871100
12

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