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 5 results

Search term: JEKLOINPWUACIU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2557323

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18O3/c1-9(2)5-6-10(8-12(13)14)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,13,14)
C12H18O3210.26952014026
1397556

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H18O3/c1-9(2)5-6-10(8-12(13)14)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,13,14)/t10-/m1/s1
C12H18O3210.26952100
1397558

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H18O3/c1-9(2)5-6-10(8-12(13)14)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,13,14)/t10-/m0/s1
C12H18O3210.26952100
1397555

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H18O3/c1-9(2)5-6-10(8-12(13)14)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,13,14)/p-1/t10-/m1/s1
C12H17O3209.26211100
1397557

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H18O3/c1-9(2)5-6-10(8-12(13)14)11-4-3-7-15-11/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,13,14)/p-1/t10-/m0/s1
C12H17O3209.26211100

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