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
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Found 8 results

Search term: IUPPZLJWDOLLRS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5641252

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H16O6/c1-4-7-16-13-6-5-11(18-10(3)15)12(19-13)8-17-9(2)14/h1,5-6,11-13H,7-8H2,2-3H3/t11-,12+,13-/m0/s1
C13H16O6268.2625161200
5044828

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C13H16O6/c1-4-7-16-13-6-5-11(18-10(3)15)12(19-13)8-17-9(2)14/h1,5-6,11-13H,7-8H2,2-3H3/t11-,12?,13-/m0/s1
C13H16O6268.26253200
9405998

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H16O6/c1-4-7-16-13-6-5-11(18-10(3)15)12(19-13)8-17-9(2)14/h1,5-6,11-13H,7-8H2,2-3H3/t11-,12-,13+/m1/s1
C13H16O6268.26253100
57594231

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C13H16O6/c1-4-7-16-13-6-5-11(18-10(3)15)12(19-13)8-17-9(2)14/h1,5-6,11-13H,7-8H2,2-3H3/t11-,12+,13?/m0/s1
C13H16O6268.26252100
8667493

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H16O6/c1-4-7-16-13-6-5-11(18-10(3)15)12(19-13)8-17-9(2)14/h1,5-6,11-13H,7-8H2,2-3H3/t11-,12+,13+/m0/s1
C13H16O6268.26252100
75579677

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C13H16O6/c1-4-7-16-13-6-5-11(18-10(3)15)12(19-13)8-17-9(2)14/h1,5-6,11-13H,7-8H2,2-3H3/t11-,12?,13+/m0/s1
C13H16O6268.26251100
113600641

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C13H16O6/c1-4-7-16-13-6-5-11(18-10(3)15)12(19-13)8-17-9(2)14/h1,5-6,11-13H,7-8H2,2-3H3/t11-,12+,13-/m1/s1
C13H16O6268.26251100

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