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: PEANSLAKPSVOFU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943265

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C37H52N2O8/c1-24-15-14-18-28-21-30(46-5)22-31(35(28)42)39-33(40)23-29(45-4)19-12-7-6-8-13-20-32(25(2)34(24)41)47-37(44)26(3)38-36(43)27-16-10-9-11-17-27/h6-8,12-13,15,19,21-22,25-27,29,32,34,41-42H,9-11,14,16-18,20,23H2,1-5H3,(H,38,43)(H,39,40)/b7-6+,13-8-,19-12+,24-15+
C37H52N2O8652.81742200
8207808

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C37H52N2O8/c1-24-15-14-18-28-21-30(46-5)22-31(35(28)42)39-33(40)23-29(45-4)19-12-7-6-8-13-20-32(25(2)34(24)41)47-37(44)26(3)38-36(43)27-16-10-9-11-17-27/h6-8,12-13,15,19,21-22,25-27,29,32,34,41-42H,9-11,14,16-18,20,23H2,1-5H3,(H,38,43)(H,39,40)/b7-6+,13-8+,19-12+,24-15-/t25-,26+,29+,32+,34-/m1/s1
C37H52N2O8652.81742100
57522466

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C37H52N2O8/c1-24-15-14-18-28-21-30(46-5)22-31(35(28)42)39-33(40)23-29(45-4)19-12-7-6-8-13-20-32(25(2)34(24)41)47-37(44)26(3)38-36(43)27-16-10-9-11-17-27/h6-8,12-13,15,19,21-22,25-27,29,32,34,41-42H,9-11,14,16-18,20,23H2,1-5H3,(H,38,43)(H,39,40)/b7-6-,13-8-,19-12-,24-15-
C37H52N2O8652.81741100
78444225

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C37H52N2O8/c1-24-15-14-18-28-21-30(46-5)22-31(35(28)42)39-33(40)23-29(45-4)19-12-7-6-8-13-20-32(25(2)34(24)41)47-37(44)26(3)38-36(43)27-16-10-9-11-17-27/h6-8,12-13,15,19,21-22,25-27,29,32,34,41-42H,9-11,14,16-18,20,23H2,1-5H3,(H,38,43)(H,39,40)/b7-6-,13-8-,19-12+,24-15-
C37H52N2O8652.81741100

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