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 3 results

Search term: HZANQAKCFSEOOX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9896801

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C45H78N6O6/c1-3-38-22-16-17-28-45(57-38)33-36-25-26-40-42(39(23-19-21-35(2)52)48-44(49-45)51(36)40)43(55)56-32-18-14-12-10-8-6-4-5-7-9-11-13-15-24-41(54)50(31-20-29-46)34-37(53)27-30-47/h16,22,35-38,52-53H,3-15,17-21,23-34,46-47H2,1-2H3/p+1/t35-,36+,37+,38+,45+/m1/s1
C45H79N6O6800.14483300
10473945

Charge

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C45H78N6O6/c1-3-38-22-16-17-28-45(57-38)33-36-25-26-40-42(39(23-19-21-35(2)52)48-44(49-45)51(36)40)43(55)56-32-18-14-12-10-8-6-4-5-7-9-11-13-15-24-41(54)50(31-20-29-46)34-37(53)27-30-47/h16,22,35-38,52-53H,3-15,17-21,23-34,46-47H2,1-2H3/p+1
C45H79N6O6800.14483300
28287318

Charge

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C45H78N6O6/c1-3-38-22-16-17-28-45(57-38)33-36-25-26-40-42(39(23-19-21-35(2)52)48-44(49-45)51(36)40)43(55)56-32-18-14-12-10-8-6-4-5-7-9-11-13-15-24-41(54)50(31-20-29-46)34-37(53)27-30-47/h16,22,35-38,52-53H,3-15,17-21,23-34,46-47H2,1-2H3/p+3/t35-,36+,37+,38+,45+/m1/s1
C45H81N6O6802.15961100

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