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 6 results

Search term: KLMFUBCMJSPRPY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
149365

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H26BrN3O/c1-5-25(6-2)21(26)13-10-15-14-8-7-9-17-19(14)16(20(22)24(17)4)11-18(15)23(3)12-13/h7-10,13,18H,5-6,11-12H2,1-4H3/t13-,18-/m1/s1
C21H26BrN3O416.3546101100
29530

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H26BrN3O/c1-5-25(6-2)21(26)13-10-15-14-8-7-9-17-19(14)16(20(22)24(17)4)11-18(15)23(3)12-13/h7-10,13,18H,5-6,11-12H2,1-4H3
C21H26BrN3O416.35469800
68007210

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H26BrN3O/c1-5-25(6-2)21(26)13-10-15-14-8-7-9-17-19(14)16(20(22)24(17)4)11-18(15)23(3)12-13/h7-10,13,18H,5-6,11-12H2,1-4H3/i4-1
C2011CH26BrN3O415.35541100
81368327

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H26BrN3O/c1-5-25(6-2)21(26)13-10-15-14-8-7-9-17-19(14)16(20(22)24(17)4)11-18(15)23(3)12-13/h7-10,13,18H,5-6,11-12H2,1-4H3/t13-,18-/m1/s1/i4-1
C2011CH26BrN3O415.35541100
129234694

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H26BrN3O/c1-5-25(6-2)21(26)13-10-15-14-8-7-9-17-19(14)16(20(22)24(17)4)11-18(15)23(3)12-13/h7-10,13,18H,5-6,11-12H2,1-4H3/t13-,18?/m1/s1
C21H26BrN3O416.35461100
129303575

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C21H26BrN3O/c1-5-25(6-2)21(26)13-10-15-14-8-7-9-17-19(14)16(20(22)24(17)4)11-18(15)23(3)12-13/h7-10,13,18H,5-6,11-12H2,1-4H3/t13-,18?/m1/s1/i4-1
C2011CH26BrN3O415.35541100

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