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 8 results

Search term: VKEITMNFEJHFCX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943669

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+
C17H21NO3287.3535171600
9555572

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m1/s1
C17H21NO3287.3535171500
21865403

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11+/t13-/m0/s1
C17H21NO3287.3535101000
72389626

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11u
C17H21NO3287.35356900
58128180

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11-/t13-/m1/s1
C17H21NO3287.35352200
85296510

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)
C17H21NO3287.35351100
122894500

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11u/t13-/m1/s1
C17H21NO3287.35351100
122894504

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H21NO3/c1-12(5-10-16(19)20)11-13(2)17(21)14-6-8-15(9-7-14)18(3)4/h5-11,13H,1-4H3,(H,19,20)/b10-5+,12-11u/t13-/m0/s1
C17H21NO3287.35351100

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