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 5 results

Search term: CNMSYLKHYLHVEK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2017013

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H45N3/c1-6-10-12-14-19(8-3)23-16-21(5,22)17-24(18-23)20(9-4)15-13-11-7-2/h19-20H,6-18,22H2,1-5H3
C21H45N3339.6021000000012200
5511495

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H45N3/c1-6-10-12-14-19(8-3)23-16-21(5,22)17-24(18-23)20(9-4)15-13-11-7-2/h19-20H,6-18,22H2,1-5H3/t19-,20+,21?
C21H45N3339.60212100
5511497

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H45N3/c1-6-10-12-14-19(8-3)23-16-21(5,22)17-24(18-23)20(9-4)15-13-11-7-2/h19-20H,6-18,22H2,1-5H3/t19-,20-/m0/s1
C21H45N3339.60212100
5511496

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H45N3/c1-6-10-12-14-19(8-3)23-16-21(5,22)17-24(18-23)20(9-4)15-13-11-7-2/h19-20H,6-18,22H2,1-5H3/p+3/t19-,20-/m0/s1
C21H48N3342.62431100
5511494

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H45N3/c1-6-10-12-14-19(8-3)23-16-21(5,22)17-24(18-23)20(9-4)15-13-11-7-2/h19-20H,6-18,22H2,1-5H3/p+3/t19-,20+,21?
C21H48N3342.62431100

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