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 10 results

Search term: VPPJLAIAVCUEMN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
189902

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1
C13H18N2O3250.29361061031572
8809788

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1
C13H18N2O3250.2936453200
10266281

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)
C13H18N2O3250.2936365070
25055124

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1/i2D3
C13H15D3N2O3253.3121161500
52082576

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1/i1D3
C13H15D3N2O3253.31212100
76920418

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m0/s1/i2D3
C13H15D3N2O3253.31212200
107442415

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1/i1D3,2D3
C13H12D6N2O3256.33062200
49073301

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)/t12-/m1/s1/i2+1D3
C1213CH15D3N2O3254.30481400

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