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: BFLUPUSSZPRXQS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3851052

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H26ClN3/c27-23-12-10-21(11-13-23)26(20-6-2-1-3-7-20)30-16-14-29(15-17-30)19-22-18-28-25-9-5-4-8-24(22)25/h1-13,18,26,28H,14-17,19H2
C26H26ClN3415.95773200
5397277

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H26ClN3/c27-23-12-10-21(11-13-23)26(20-6-2-1-3-7-20)30-16-14-29(15-17-30)19-22-18-28-25-9-5-4-8-24(22)25/h1-13,18,26,28H,14-17,19H2/t26-/m0/s1
C26H26ClN3415.95772100
5397279

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H26ClN3/c27-23-12-10-21(11-13-23)26(20-6-2-1-3-7-20)30-16-14-29(15-17-30)19-22-18-28-25-9-5-4-8-24(22)25/h1-13,18,26,28H,14-17,19H2/t26-/m1/s1
C26H26ClN3415.95772100
5397278

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H26ClN3/c27-23-12-10-21(11-13-23)26(20-6-2-1-3-7-20)30-16-14-29(15-17-30)19-22-18-28-25-9-5-4-8-24(22)25/h1-13,18,26,28H,14-17,19H2/p+2/t26-/m1/s1
C26H28ClN3417.97251100
5397276

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H26ClN3/c27-23-12-10-21(11-13-23)26(20-6-2-1-3-7-20)30-16-14-29(15-17-30)19-22-18-28-25-9-5-4-8-24(22)25/h1-13,18,26,28H,14-17,19H2/p+2/t26-/m0/s1
C26H28ClN3417.97251100

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