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 4 results

Search term: BNRAADDMBWUNTC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8539870

Charge

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H35NO4/c1-17(27)30-16-23(2)10-5-11-25(4)20(23)8-12-24(3)19-9-13-26(15-22(28)29)14-18(19)6-7-21(24)25/h9,13-14,20-21H,5-8,10-12,15-16H2,1-4H3/p+1/t20?,21?,23-,24+,25+/m1/s1
C25H36NO4414.55713200
10235483

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H35NO4/c1-17(27)30-16-23(2)10-5-11-25(4)20(23)8-12-24(3)19-9-13-26(15-22(28)29)14-18(19)6-7-21(24)25/h9,13-14,20-21H,5-8,10-12,15-16H2,1-4H3/p+1/t20-,21-,23+,24-,25-/m0/s1
C25H36NO4414.55712200
16738469

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H35NO4/c1-17(27)30-16-23(2)10-5-11-25(4)20(23)8-12-24(3)19-9-13-26(15-22(28)29)14-18(19)6-7-21(24)25/h9,13-14,20-21H,5-8,10-12,15-16H2,1-4H3/t20-,21-,23+,24-,25-/m0/s1
C25H35NO4413.54971100
8539869

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H35NO4/c1-17(27)30-16-23(2)10-5-11-25(4)20(23)8-12-24(3)19-9-13-26(15-22(28)29)14-18(19)6-7-21(24)25/h9,13-14,20-21H,5-8,10-12,15-16H2,1-4H3/t20?,21?,23-,24+,25+/m1/s1
C25H35NO4413.54971100

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