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: CUXRNHVITUJGQR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2258316

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H27NO4/c1-2-25-21(24)18-8-5-11-22(13-18)14-19(23)15-26-20-10-9-16-6-3-4-7-17(16)12-20/h3-4,6-7,9-10,12,18-19,23H,2,5,8,11,13-15H2,1H3
C21H27NO4357.44338231500
5558523

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO4/c1-2-25-21(24)18-8-5-11-22(13-18)14-19(23)15-26-20-10-9-16-6-3-4-7-17(16)12-20/h3-4,6-7,9-10,12,18-19,23H,2,5,8,11,13-15H2,1H3/p+1/t18-,19+/m1/s1
C21H28NO4358.45082200
5558524

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO4/c1-2-25-21(24)18-8-5-11-22(13-18)14-19(23)15-26-20-10-9-16-6-3-4-7-17(16)12-20/h3-4,6-7,9-10,12,18-19,23H,2,5,8,11,13-15H2,1H3/t18-,19+/m1/s1
C21H27NO4357.44342100
5558526

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO4/c1-2-25-21(24)18-8-5-11-22(13-18)14-19(23)15-26-20-10-9-16-6-3-4-7-17(16)12-20/h3-4,6-7,9-10,12,18-19,23H,2,5,8,11,13-15H2,1H3/t18-,19-/m0/s1
C21H27NO4357.44342100
70012256

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H27NO4/c1-2-25-21(24)18-8-5-11-22(13-18)14-19(23)15-26-20-10-9-16-6-3-4-7-17(16)12-20/h3-4,6-7,9-10,12,18-19,23H,2,5,8,11,13-15H2,1H3/t18-,19?/m1/s1
C21H27NO4357.44341100
5558525

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27NO4/c1-2-25-21(24)18-8-5-11-22(13-18)14-19(23)15-26-20-10-9-16-6-3-4-7-17(16)12-20/h3-4,6-7,9-10,12,18-19,23H,2,5,8,11,13-15H2,1H3/p+1/t18-,19-/m0/s1
C21H28NO4358.45081100

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