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: KHPWHJVKPZIZRG (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2017173

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H19NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2
C13H19NO205.29606725300
5384165

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H19NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/t13-/m0/s1
C13H19NO205.296114600
5511556

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H19NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/t13-/m1/s1
C13H19NO205.29616300
74155113

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H19NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/t13-/m1/s1/i10D/t10?,13-
C13H18DNO206.30221100
5511555

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H19NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/p+1/t13-/m1/s1
C13H20NO206.30351100
5384164

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H19NO/c15-11-13-8-4-5-9-14(13)10-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2/p+1/t13-/m0/s1
C13H20NO206.30351100

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