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: WTTQSPAZSJEXCU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
569697

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H30N6O3/c1-34-22-9-10-24-20(15-22)14-21(26(33)27-24)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-4,6-7,9-10,14-15,23H,5,8,11-13,16-18H2,1H3,(H,27,33)
C26H30N6O3474.5548171200
991232

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H30N6O3/c1-34-22-9-10-24-20(15-22)14-21(26(33)27-24)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-4,6-7,9-10,14-15,23H,5,8,11-13,16-18H2,1H3,(H,27,33)/t23-/m1/s1
C26H30N6O3474.55482100
991233

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H30N6O3/c1-34-22-9-10-24-20(15-22)14-21(26(33)27-24)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-4,6-7,9-10,14-15,23H,5,8,11-13,16-18H2,1H3,(H,27,33)/t23-/m0/s1
C26H30N6O3474.55482100
5343200

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H30N6O3/c1-34-22-9-10-24-20(15-22)14-21(26(33)27-24)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-4,6-7,9-10,14-15,23H,5,8,11-13,16-18H2,1H3,(H,27,33)/p+1/t23-/m1/s1
C26H31N6O3475.56221100
5343201

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C26H30N6O3/c1-34-22-9-10-24-20(15-22)14-21(26(33)27-24)16-31(12-11-19-6-3-2-4-7-19)18-25-28-29-30-32(25)17-23-8-5-13-35-23/h2-4,6-7,9-10,14-15,23H,5,8,11-13,16-18H2,1H3,(H,27,33)/p+1/t23-/m0/s1
C26H31N6O3475.56221100

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