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 20 results

Search term: WTDRDQBEARUVNC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5824


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
C9H11NO4197.18791935211007791490
813

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
C9H11NO4197.18791441361215434696
83260

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1
C9H11NO4197.1879858305
5290059

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i1D,2D,4D
C9H8D3NO4200.206423303100
60498015

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i1D,2D,3D2,4D,6D
C9H5D6NO4203.22498700
21170761

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/i1D,2D,4D
C9H8D3NO4200.20646408
35033247

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i3D2,6D
C9H8D3NO4200.20645500
58784622

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/i1D,2D,3D2,4D,6D
C9H5D6NO4203.22494400
62956638

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i9+2
C814CH11NO4199.18053200
65322252

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i6D
C9H10DNO4198.19413200
397146

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/i9-1
C811CH11NO4196.18873300
396858

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/i3-1
C811CH11NO4196.18872300
8012787

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i3D2
C9H9D2NO4199.20032100
8373562

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i3-1
C811CH11NO4196.18872100
9485109

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i3T/t3-,6-
C9H10TNO4199.1962100
9576269

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i2T
C9H10TNO4199.1962100
128935239

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i1+1,2+1,4+1,5+1,7+1,8+1
C313C6H11NO4203.14392200
78076023

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m1/s1/i1D,2D,4D
C9H8D3NO4200.20641100
28533097

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/p-1/t6-/m0/s1
C9H10NO4196.18051100

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