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 7 results

Search term: DXJUCAUQIHNOAF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117332

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3
C18H21N251.366151500
8190628

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m0/s1
C18H21N251.3668600
8213380

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18+/m1/s1
C18H21N251.3668700
8281741

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1
C18H21N251.3668900
34948386

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18+/m0/s1
C18H21N251.3664400
8439937

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18-/m1/s1/i1T3
C18H18T3N257.39042200
8530257

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16?,18-/m1/s1
C18H21N251.3662100

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