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
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Single/Multi-component
Isotopically Labeled
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Found 43 results

Search term: MXHRCPNRJAMMIM (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
13118

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
C9H12N2O5228.2021503448315364
399457

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8-/m1/s1
C9H12N2O5228.202311700
5300260

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m1/s1
C9H12N2O5228.20198221100
559288

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8?/m0/s1
C9H12N2O5228.20221348228362
23630210

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6-,8-/m1/s1
C9H12N2O5228.202111200
5050966

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5?,6-,8-/m1/s1
C9H12N2O5228.20210700
32821069

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i4+1
C813CH12N2O5229.1946101100
32821070

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i3+1,4+1,5+1,6+1,8+1
C413C5H12N2O5233.1653101200
32821066

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i8+1
C813CH12N2O5229.19469900
32821067

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i3+1
C813CH12N2O5229.19469900
32821068

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i5+1
C813CH12N2O5229.194691000
23630211

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6-,8-/m1/s1/i9+1,10+1,11+1
C813CH1215N2O5231.18157400
18922863

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8-/m0/s1
C9H12N2O5228.2026600
32821075

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i4D2
C9H10D2N2O5230.21436700
599467

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6-,8-/m0/s1
C9H12N2O5228.2026300
17339928

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i1T
C9H11TN2O5230.21016700
18770947

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6-,8+/m1/s1
C9H12N2O5228.2024200
35466698

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i9+2
C814CH12N2O5230.19454100
5415632

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6-,8+/m0/s1
C9H12N2O5228.2023200
9819034

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i3D/t3-,5-,6+,8+
C9H11DN2O5229.20812100
123

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