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: NUPJIGQFXCQJBK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
77711

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)
C15H19N3O4305.32918617800
9658376

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/t15-/m1/s1
C15H19N3O4305.329110900
34448850

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/t15-/m0/s1
C15H19N3O4305.32917700
115006426

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/i4+1D3
C1413CH16D3N3O4309.34022200
58170194

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/p-1/t15-/m1/s1
C15H18N3O4304.32171100
58170363

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/p-1/t15-/m0/s1
C15H18N3O4304.32171100
71048185

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/i6+2
C1414CH19N3O4307.32161100
71048186

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/i12+2,14+2,15+2
C1214C3H19N3O4311.30671100
95721461

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/p-1
C15H18N3O4304.32171100
107438890

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/i4D3
C15H16D3N3O4308.34751400
110406530

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)/i14+2
C1414CH19N3O4307.32161100

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