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 9 results

Search term: MHBGDNWDRYOZPX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
109015

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2
C21H22INO3463.3088172400
8248619

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19?,21-/m1/s1
C21H22INO3463.30884300
23136254

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/i22-2
C21H22125INO3461.30893300
23142449

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19?,21-/m0/s1
C21H22INO3463.30872200
8703307

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19-,21+/m0/s1/i22-4
C21H22123INO3459.40432100
9298537

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19-,21+/m0/s1/i22-2
C21H22125INO3461.30892200
81368069

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19-,21-/m0/s1/i22-2
C21H22125INO3461.30891100
81368086

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19-,21+/m0/s1
C21H22INO3463.30871100
81368522

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19-,21-/m0/s1
C21H22INO3463.30871100

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