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: PSHXNVGSVNEJBD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30776567

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1
C21H41NO4371.5545354200
4932274

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3
C21H41NO4371.5545121600
2657267

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/p+1
C21H42NO4372.56195300
68895900

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1/i2D3,3D3,4D3
C21H32D9NO4380.613200
5036995

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/p+1/t19-/m1/s1
C21H42NO4372.56192200
52085617

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m0/s1
C21H41NO4371.55452300
78333904

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/i1D3
C21H38D3NO4374.5731100

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