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 5 results

Search term: QBGJVQHGWZHQEL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2412450

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H23N3O5S/c1-27-18-7-14(8-19(28-2)21(18)29-3)16-9-20(26)25-12-24(11-15-5-4-6-30-15)13-31-22(25)17(16)10-23/h4-8,16H,9,11-13H2,1-3H3
C22H23N3O5S441.5001211600
1428161

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H23N3O5S/c1-27-18-7-14(8-19(28-2)21(18)29-3)16-9-20(26)25-12-24(11-15-5-4-6-30-15)13-31-22(25)17(16)10-23/h4-8,16H,9,11-13H2,1-3H3/t16-/m1/s1
C22H23N3O5S441.50012100
1428163

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H23N3O5S/c1-27-18-7-14(8-19(28-2)21(18)29-3)16-9-20(26)25-12-24(11-15-5-4-6-30-15)13-31-22(25)17(16)10-23/h4-8,16H,9,11-13H2,1-3H3/t16-/m0/s1
C22H23N3O5S441.50012100
1428160

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H23N3O5S/c1-27-18-7-14(8-19(28-2)21(18)29-3)16-9-20(26)25-12-24(11-15-5-4-6-30-15)13-31-22(25)17(16)10-23/h4-8,16H,9,11-13H2,1-3H3/p+1/t16-/m1/s1
C22H24N3O5S442.50751100
1428162

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H23N3O5S/c1-27-18-7-14(8-19(28-2)21(18)29-3)16-9-20(26)25-12-24(11-15-5-4-6-30-15)13-31-22(25)17(16)10-23/h4-8,16H,9,11-13H2,1-3H3/p+1/t16-/m0/s1
C22H24N3O5S442.50751100

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