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 6 results

Search term: KQAQQNMXXWWOOB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2399633

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)
C22H23N5O3405.44972261900
982843

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)/t19-/m1/s1
C22H23N5O3405.44972100
982844

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)/t19-/m0/s1
C22H23N5O3405.44972100
5342719

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)/p+1/t19-/m1/s1
C22H24N5O3406.45712200
5342720

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)/p+1/t19-/m0/s1
C22H24N5O3406.45711100
4841091

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)/p+1
C22H24N5O3406.45711100

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