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: NYOJHGXUDYJBFZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
568882

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H25N3O5S/c1-2-30-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)31(20)28)21(26)9-10-24-11-13-29-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)
C22H25N3O5S443.516241500
10035543

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H25N3O5S/c1-2-30-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)31(20)28)21(26)9-10-24-11-13-29-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)/t31-/m0/s1
C22H25N3O5S443.5162100
4396492

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H25N3O5S/c1-2-30-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)31(20)28)21(26)9-10-24-11-13-29-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)/p+1
C22H26N3O5S444.523941100
10035542

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H25N3O5S/c1-2-30-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)31(20)28)21(26)9-10-24-11-13-29-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)/p+1/t31-/m0/s1
C22H26N3O5S444.52341100

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