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: ZILANCBBWKUMCQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10932207

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H29N7O2/c1-16-17(2)29(14-18-5-3-12-31-18)21(19(16)13-23)26-20(30)15-27-8-10-28(11-9-27)22-24-6-4-7-25-22/h4,6-7,18H,3,5,8-12,14-15H2,1-2H3,(H,26,30)
C22H29N7O2423.511410700
7722103

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H29N7O2/c1-16-17(2)29(14-18-5-3-12-31-18)21(19(16)13-23)26-20(30)15-27-8-10-28(11-9-27)22-24-6-4-7-25-22/h4,6-7,18H,3,5,8-12,14-15H2,1-2H3,(H,26,30)/t18-/m0/s1
C22H29N7O2423.51142100
7722106

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H29N7O2/c1-16-17(2)29(14-18-5-3-12-31-18)21(19(16)13-23)26-20(30)15-27-8-10-28(11-9-27)22-24-6-4-7-25-22/h4,6-7,18H,3,5,8-12,14-15H2,1-2H3,(H,26,30)/t18-/m1/s1
C22H29N7O2423.51142100
7722102

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H29N7O2/c1-16-17(2)29(14-18-5-3-12-31-18)21(19(16)13-23)26-20(30)15-27-8-10-28(11-9-27)22-24-6-4-7-25-22/h4,6-7,18H,3,5,8-12,14-15H2,1-2H3,(H,26,30)/p+1/t18-/m0/s1
C22H30N7O2424.51881100
7722105

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H29N7O2/c1-16-17(2)29(14-18-5-3-12-31-18)21(19(16)13-23)26-20(30)15-27-8-10-28(11-9-27)22-24-6-4-7-25-22/h4,6-7,18H,3,5,8-12,14-15H2,1-2H3,(H,26,30)/p+1/t18-/m1/s1
C22H30N7O2424.51881100

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