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: JBFBADKGGFXWLW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17468199

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H36N4O3/c1-15(2)14-20(24)23(30)27-12-10-19(11-13-27)22(29)26-17(4)21(28)25-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14,24H2,1-4H3,(H,25,28)(H,26,29)/t16?,17-,20-/m0/s1
C23H36N4O3416.55699700
5442785

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H36N4O3/c1-15(2)14-20(24)23(30)27-12-10-19(11-13-27)22(29)26-17(4)21(28)25-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14,24H2,1-4H3,(H,25,28)(H,26,29)/t16-,17+,20+/m1/s1
C23H36N4O3416.55692100
4021581

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H36N4O3/c1-15(2)14-20(24)23(30)27-12-10-19(11-13-27)22(29)26-17(4)21(28)25-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14,24H2,1-4H3,(H,25,28)(H,26,29)
C23H36N4O3416.556942100
5442783

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H36N4O3/c1-15(2)14-20(24)23(30)27-12-10-19(11-13-27)22(29)26-17(4)21(28)25-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14,24H2,1-4H3,(H,25,28)(H,26,29)/t16-,17-,20-/m0/s1
C23H36N4O3416.55692100
5442784

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H36N4O3/c1-15(2)14-20(24)23(30)27-12-10-19(11-13-27)22(29)26-17(4)21(28)25-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14,24H2,1-4H3,(H,25,28)(H,26,29)/p+1/t16-,17+,20+/m1/s1
C23H37N4O3417.56431100
5442782

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H36N4O3/c1-15(2)14-20(24)23(30)27-12-10-19(11-13-27)22(29)26-17(4)21(28)25-16(3)18-8-6-5-7-9-18/h5-9,15-17,19-20H,10-14,24H2,1-4H3,(H,25,28)(H,26,29)/p+1/t16-,17-,20-/m0/s1
C23H37N4O3417.56431100

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