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: JDXUSWQJCGTBLN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5293031

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20-/m0/s1
C25H38N6O5502.606427600
23132118

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19-,20-/m1/s1
C25H38N6O5502.60643300
23132132

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18-,19+,20+/m0/s1
C25H38N6O5502.60643300
19992712

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C25H38N6O5/c1-25(2,3)36-24(35)30-19(15-17-9-5-4-6-10-17)22(34)31-14-8-12-20(31)21(33)29-18(16-32)11-7-13-28-23(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,29,33)(H,30,35)(H4,26,27,28)/t18?,19-,20+/m1/s1
C25H38N6O5502.60642200

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