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: KETVITBYSZOWFK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5386359

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H21N3O3/c1-8(2)12(13(16)19)17-14(20)11(15)7-9-3-5-10(18)6-4-9/h3-6,8,11-12,18H,7,15H2,1-2H3,(H2,16,19)(H,17,20)/t11-,12+/m1/s1
C14H21N3O3279.334812900
119688

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H21N3O3/c1-8(2)12(13(16)19)17-14(20)11(15)7-9-3-5-10(18)6-4-9/h3-6,8,11-12,18H,7,15H2,1-2H3,(H2,16,19)(H,17,20)/t11-,12-/m0/s1
C14H21N3O3279.33487500
14293615

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C14H21N3O3/c1-8(2)12(13(16)19)17-14(20)11(15)7-9-3-5-10(18)6-4-9/h3-6,8,11-12,18H,7,15H2,1-2H3,(H2,16,19)(H,17,20)
C14H21N3O3279.334866194
9819568

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C14H21N3O3/c1-8(2)12(13(16)19)17-14(20)11(15)7-9-3-5-10(18)6-4-9/h3-6,8,11-12,18H,7,15H2,1-2H3,(H2,16,19)(H,17,20)/t11-,12?/m0/s1
C14H21N3O3279.33483200
5386358

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H21N3O3/c1-8(2)12(13(16)19)17-14(20)11(15)7-9-3-5-10(18)6-4-9/h3-6,8,11-12,18H,7,15H2,1-2H3,(H2,16,19)(H,17,20)/p+1/t11-,12+/m1/s1
C14H22N3O3280.34221100
54901449

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C14H21N3O3/c1-8(2)12(13(16)19)17-14(20)11(15)7-9-3-5-10(18)6-4-9/h3-6,8,11-12,18H,7,15H2,1-2H3,(H2,16,19)(H,17,20)/t11-,12?/m1/s1
C14H21N3O3279.33481100
78270100

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C14H21N3O3/c1-8(2)12(13(16)19)17-14(20)11(15)7-9-3-5-10(18)6-4-9/h3-6,8,11-12,18H,7,15H2,1-2H3,(H2,16,19)(H,17,20)/t11-,12+/m0/s1
C14H21N3O3279.33481100

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