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 6 results

Search term: QGEQKVZQPWSOTI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5379377

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1
C12H15NO4237.2518594000
5362904

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m1/s1
C12H15NO4237.2518513900
251571

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)
C12H15NO4237.2518363200
107448425

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1/i2+1D3
C1113CH12D3NO4241.26292200
5362903

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/p-1/t9-/m1/s1
C12H14NO4236.24441100
5379376

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/p-1/t9-/m0/s1
C12H14NO4236.24441100

Advertisement