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 9 results

Search term: MDPYDADVMBZYRK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3498679

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H28N4O2S/c1-12(2)16-6-8-17(9-7-16)18(24-10-13(3)27-14(4)11-24)19-20(26)25-21(28-19)22-15(5)23-25/h6-9,12-14,18,26H,10-11H2,1-5H3
C21H28N4O2S400.537628300
5452450

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28N4O2S/c1-12(2)16-6-8-17(9-7-16)18(24-10-13(3)27-14(4)11-24)19-20(26)25-21(28-19)22-15(5)23-25/h6-9,12-14,18,26H,10-11H2,1-5H3/t13-,14+,18-/m1/s1
C21H28N4O2S400.53762100
5452452

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28N4O2S/c1-12(2)16-6-8-17(9-7-16)18(24-10-13(3)27-14(4)11-24)19-20(26)25-21(28-19)22-15(5)23-25/h6-9,12-14,18,26H,10-11H2,1-5H3/t13-,14+,18-/m0/s1
C21H28N4O2S400.53762100
5452454

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28N4O2S/c1-12(2)16-6-8-17(9-7-16)18(24-10-13(3)27-14(4)11-24)19-20(26)25-21(28-19)22-15(5)23-25/h6-9,12-14,18,26H,10-11H2,1-5H3/t13-,14-,18-/m1/s1
C21H28N4O2S400.53762100
5452456

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28N4O2S/c1-12(2)16-6-8-17(9-7-16)18(24-10-13(3)27-14(4)11-24)19-20(26)25-21(28-19)22-15(5)23-25/h6-9,12-14,18,26H,10-11H2,1-5H3/t13-,14-,18+/m1/s1
C21H28N4O2S400.53762100
5452455

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28N4O2S/c1-12(2)16-6-8-17(9-7-16)18(24-10-13(3)27-14(4)11-24)19-20(26)25-21(28-19)22-15(5)23-25/h6-9,12-14,18,26H,10-11H2,1-5H3/p+1/t13-,14-,18+/m1/s1
C21H29N4O2S401.5451100
5452453

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28N4O2S/c1-12(2)16-6-8-17(9-7-16)18(24-10-13(3)27-14(4)11-24)19-20(26)25-21(28-19)22-15(5)23-25/h6-9,12-14,18,26H,10-11H2,1-5H3/p+1/t13-,14-,18-/m1/s1
C21H29N4O2S401.5451100
5452451

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28N4O2S/c1-12(2)16-6-8-17(9-7-16)18(24-10-13(3)27-14(4)11-24)19-20(26)25-21(28-19)22-15(5)23-25/h6-9,12-14,18,26H,10-11H2,1-5H3/p+1/t13-,14+,18-/m0/s1
C21H29N4O2S401.5451100
5452449

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H28N4O2S/c1-12(2)16-6-8-17(9-7-16)18(24-10-13(3)27-14(4)11-24)19-20(26)25-21(28-19)22-15(5)23-25/h6-9,12-14,18,26H,10-11H2,1-5H3/p+1/t13-,14+,18-/m1/s1
C21H29N4O2S401.5451100

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