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 22 results

Search term: VTAARTQTOOYTES-QIQUEDJNCS (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
184747

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1
C8H11NO4185.1772797100
102788

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)
C8H11NO4185.177217137150
8878006

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m1/s1
C8H11NO4185.177212800
9020506

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8+/m0/s1
C8H11NO4185.17727500
24213930

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4+,5-,8-/m0/s1
C8H11NO4185.17725200
26232128

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3?,4-,5-,8-/m0/s1
C8H11NO4185.17725500
61411385

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5?,8-/m0/s1
C8H11NO4185.17724300
77499279

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4+,5?,8-/m1/s1
C8H11NO4185.17723300
29782540

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4+,5-,8-/m1/s1
C8H11NO4185.17723200
9530875

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1/i1T,2T/t1?,2?,3-,4-,5-,8-
C8H9T2NO4189.19352200
9963410

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1/i4+1,6+1,7+1,9+1
C513C3H1115NO4189.14862100
9990954

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8-/m0/s1/i7+2
C714CH11NO4187.16982200
107562728

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8-/m0/s1
C8H11NO4185.17722100
61427735

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8?/m0/s1
C8H11NO4185.17722100
61681602

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4+,5-,8?/m0/s1
C8H11NO4185.17722100
61700148

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5-,8?/m1/s1
C8H11NO4185.17722100
75684767

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4+,5+,8+/m1/s1
C8H11NO4185.17721100
114816475

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4-,5+,8+/m1/s1
C8H11NO4185.17721100
61403881

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)/t3-,4+,5+,8+/m0/s1
C8H11NO4185.17721100
12

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