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: XPUZQNDQEJOFMQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29214877

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C37H58O13/c1-6-10-31(39)50-30-18-25-16-24(47-35-34(44-5)33(41)32(40)22(4)45-35)15-23(46-25)13-20(2)11-8-7-9-12-28-21(3)14-29(49-28)27(38)17-26-19-37(30,43)36(42)48-26/h7-9,11,20-30,32-35,38,40-41,43H,6,10,12-19H2,1-5H3/b9-7-,11-8+/t20-,21+,22-,23+,24-,25+,26+,27+,28+,29+,30-,32+,33+,34+,35-,37+/m0/s1
C37H58O13710.84862200
76787073

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C37H58O13/c1-6-10-31(39)50-30-18-25-16-24(47-35-34(44-5)33(41)32(40)22(4)45-35)15-23(46-25)13-20(2)11-8-7-9-12-28-21(3)14-29(49-28)27(38)17-26-19-37(30,43)36(42)48-26/h7-9,11,20-30,32-35,38,40-41,43H,6,10,12-19H2,1-5H3/b9-7-,11-8+/t20-,21-,22-,23+,24-,25+,26-,27-,28-,29-,30-,32+,33+,34+,35-,37-/m0/s1
C37H58O13710.84862200
129306088

Double-bond stereo

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C37H58O13/c1-6-10-31(39)50-30-18-25-16-24(47-35-34(44-5)33(41)32(40)22(4)45-35)15-23(46-25)13-20(2)11-8-7-9-12-28-21(3)14-29(49-28)27(38)17-26-19-37(30,43)36(42)48-26/h7-9,11,20-30,32-35,38,40-41,43H,6,10,12-19H2,1-5H3/b9-7+,11-8+/t20-,21+,22-,23+,24-,25+,26+,27+,28+,29+,30+,32+,33+,34+,35-,37+/m0/s1
C37H58O13710.84861100
57641771

Double-bond stereo

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C37H58O13/c1-6-10-31(39)50-30-18-25-16-24(47-35-34(44-5)33(41)32(40)22(4)45-35)15-23(46-25)13-20(2)11-8-7-9-12-28-21(3)14-29(49-28)27(38)17-26-19-37(30,43)36(42)48-26/h7-9,11,20-30,32-35,38,40-41,43H,6,10,12-19H2,1-5H3/b9-7-,11-8-/t20-,21+,22-,23+,24-,25+,26+,27+,28+,29+,30+,32+,33+,34+,35-,37+/m0/s1
C37H58O13710.84861100

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