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 5 results

Search term: UERRXLUEVHKNBY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
32697097

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C35H54O11/c1-30(28(41)42)10-12-35(29(43)44)13-11-33(4)18(19(35)14-30)6-7-23-31(2)15-20(37)26(46-27-25(40)24(39)21(38)16-45-27)32(3,17-36)22(31)8-9-34(23,33)5/h6,19-27,36-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)/t19-,20-,21+,22+,23+,24-,25+,26-,27-,30-,31-,32-,33+,34+,35-/m0/s1
C35H54O11650.7967141100
113710

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C35H54O11/c1-30(28(41)42)10-12-35(29(43)44)13-11-33(4)18(19(35)14-30)6-7-23-31(2)15-20(37)26(46-27-25(40)24(39)21(38)16-45-27)32(3,17-36)22(31)8-9-34(23,33)5/h6,19-27,36-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)/t19-,20+,21-,22?,23-,24+,25-,26+,27+,30-,31+,32+,33-,34-,35+/m1/s1
C35H54O11650.7967101000
4884690

4 of 15 defined stereocentres - 4/15 defined
InChI=1/C35H54O11/c1-30(28(41)42)10-12-35(29(43)44)13-11-33(4)18(19(35)14-30)6-7-23-31(2)15-20(37)26(46-27-25(40)24(39)21(38)16-45-27)32(3,17-36)22(31)8-9-34(23,33)5/h6,19-27,36-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)/t19?,20?,21-,22?,23?,24+,25-,26?,27+,30?,31?,32?,33?,34?,35?/m1/s1
C35H54O11650.79672200
82965877

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C35H54O11/c1-30(28(41)42)10-12-35(29(43)44)13-11-33(4)18(19(35)14-30)6-7-23-31(2)15-20(37)26(46-27-25(40)24(39)21(38)16-45-27)32(3,17-36)22(31)8-9-34(23,33)5/h6,19-27,36-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)/t19-,20-,21+,22+,23+,24-,25+,26-,27-,30-,31-,32-,33+,34+,35-/m1/s1
C35H54O11650.79671100
113611322

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C35H54O11/c1-30(28(41)42)10-12-35(29(43)44)13-11-33(4)18(19(35)14-30)6-7-23-31(2)15-20(37)26(46-27-25(40)24(39)21(38)16-45-27)32(3,17-36)22(31)8-9-34(23,33)5/h6,19-27,36-40H,7-17H2,1-5H3,(H,41,42)(H,43,44)/t19-,20-,21+,22-,23+,24-,25-,26-,27+,30-,31-,32-,33+,34+,35+/m0/s1
C35H54O11650.79671100

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