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 4 results

Search term: XBUGUOQUMLNGNN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4440686

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H50N2O4/c31-27-15-7-3-1-5-11-23-13-21-29-20-10-18-28(32,26(29)33-23)16-8-4-2-6-12-24-14-22-30(19-9-17-27)25(27)34-24/h23-26,31-32H,1-22H2/t23-,24-,25+,26+,27-,28-/m1/s1
C28H50N2O4478.707600000001101000
8655625

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H50N2O4/c31-27-15-7-3-1-5-11-23-13-21-29-20-10-18-28(32,26(29)33-23)16-8-4-2-6-12-24-14-22-30(19-9-17-27)25(27)34-24/h23-26,31-32H,1-22H2/t23-,24-,25-,26-,27-,28-/m1/s1
C28H50N2O4478.70762100
21433116

Charge

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C28H50N2O4/c31-27-15-7-3-1-5-11-23-13-21-29-20-10-18-28(32,26(29)33-23)16-8-4-2-6-12-24-14-22-30(19-9-17-27)25(27)34-24/h23-26,31-32H,1-22H2/p+2
C28H52N2O4480.72242200
73930312

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C28H50N2O4/c31-27-15-7-3-1-5-11-23-13-21-29-20-10-18-28(32,26(29)33-23)16-8-4-2-6-12-24-14-22-30(19-9-17-27)25(27)34-24/h23-26,31-32H,1-22H2/t23-,24+,25-,26+,27+,28-
C28H50N2O4478.70762200

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