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 12 results

Search term: WJAWSOJHTWSPNI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22880254

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/t11?,13-,14+,18?/m1/s1
C18H19FN4O5390.36579800
4077815

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)
C18H19FN4O5390.36566324200
10084350

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/t11-,13+,14-,18+/m0/s1
C18H19FN4O5390.36573300
10084352

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/t11-,13-,14+,18-/m1/s1
C18H19FN4O5390.36573200
10084354

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/t11-,13+,14-,18-/m0/s1
C18H19FN4O5390.36573200
62566168

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/t11-,13+,14+,18-/m1/s1
C18H19FN4O5390.36572200
62577475

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/t11-,13-,14-,18+/m0/s1
C18H19FN4O5390.36572300
10084356

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/t11-,13-,14+,18+/m1/s1
C18H19FN4O5390.36572100
10084355

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/p+1/t11-,13-,14+,18+/m1/s1
C18H20FN4O5391.37311100
10084353

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/p+1/t11-,13+,14-,18-/m0/s1
C18H20FN4O5391.37311100
10084351

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/p+1/t11-,13-,14+,18-/m1/s1
C18H20FN4O5391.37311100
10084349

Charge

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H19FN4O5/c1-28-5-4-23-15(25)13-11(7-12(20)24)22-18(14(13)16(23)26)9-6-8(19)2-3-10(9)21-17(18)27/h2-3,6,11,13-14,22H,4-5,7H2,1H3,(H2,20,24)(H,21,27)/p+1/t11-,13+,14-,18+/m0/s1
C18H20FN4O5391.37311100

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