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 7 results

Search term: LWJALJDRFBXHKX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3849628

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
C16H20BrN306.2407423700
29365327

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2/t10-,11+,12-,13+,16?
C16H20BrN306.2407161500
48059151

0 of 5 defined stereocentres - 0/5 defined

Non-standard isotope
InChI=1/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2/i1D,2D,3D,4D,16D
C16H15D5BrN311.27153300
62629742

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2/t10-,11+,12-,13+,16-
C16H20BrN306.24071100
76920228

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2/t10-,11+,12-,13-,16?
C16H20BrN306.24071100
76920229

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2/t10-,11+,12-,13-,16?/i1D,2D,3D,4D,16D
C16H15D5BrN311.27151100
80796522

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2/t10?,11?,12-,13+,16-
C16H20BrN306.24071100

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