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 7 results

Search term: OBTCMSPFOITUIJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5373188

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5-,7-/m0/s1
C9H16N2O5232.2337262700
8140250

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)
C9H16N2O5232.2337131562162
37052216

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5?,7-/m0/s1
C9H16N2O5232.23372200
37052255

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5?,7-/m1/s1
C9H16N2O5232.23372200
111318754

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5-,7-/m1/s1
C9H16N2O5232.23371100
120947212

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/t5-,7?/m0/s1
C9H16N2O5232.23371100
5373187

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C9H16N2O5/c1-4(2)7(10)8(14)11-5(9(15)16)3-6(12)13/h4-5,7H,3,10H2,1-2H3,(H,11,14)(H,12,13)(H,15,16)/p-1/t5-,7-/m0/s1
C9H15N2O5231.22631100

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