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 11 results

Search term: FBTSQILOGYXGMD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58633

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1
C9H10N2O5226.18611081025621
205676

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)
C9H10N2O5226.186176747116357
664130

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m1/s1
C9H10N2O5226.1861544305
9022288

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1/i1D,2D,4D
C9H7D3N2O5229.204691000
49071885

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
13C9H10N2O5235.123300
5305786

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/p-1/t6-/m0/s1
C9H9N2O5225.178162100
5312527

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/p-1/t6-/m1/s1
C9H9N2O5225.178161100
78076018

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m1/s1/i1D,2D,4D
C9H7D3N2O5229.20461100
129178731

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/t6-/m0/s1/i1+1,2+1,4+1,5+1,7+1,8+1
C313C6H10N2O5232.1421100
21511083

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)/p-1
C9H9N2O5225.17871100

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