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
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Found 5 results

Search term: BRROATQELOFYBR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24958011

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H32N2O6/c1-22(2,3)30-21(27)24-12-8-11-17(14-24)13-18(19(25)28-4)23-20(26)29-15-16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3,(H,23,26)/t17?,18-/m0/s1
C22H32N2O6420.4993282200
24958010

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H32N2O6/c1-22(2,3)30-21(27)24-12-8-11-17(14-24)13-18(19(25)28-4)23-20(26)29-15-16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3,(H,23,26)
C22H32N2O6420.4993141500
24958012

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H32N2O6/c1-22(2,3)30-21(27)24-12-8-11-17(14-24)13-18(19(25)28-4)23-20(26)29-15-16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3,(H,23,26)/t17?,18-/m1/s1
C22H32N2O6420.4993121000
68386185

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H32N2O6/c1-22(2,3)30-21(27)24-12-8-11-17(14-24)13-18(19(25)28-4)23-20(26)29-15-16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-15H2,1-4H3,(H,23,26)/t17-,18?/m0/s1
C22H32N2O6420.49932100

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