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 10 results

Search term: GSYDZKZBXPTRGD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
316397

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2
C40H46N4O6678.8164399999985300
4872485

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25-,42-26-
C40H46N4O6678.81644400
20136584

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26+/t29-,30-,35+,36+,37+,38+,39-,40-/m1/s1
C40H46N4O6678.81643300
4677859

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26+
C40H46N4O6678.81642100
58961475

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26u/t29-,30-,35+,36+,37+,38+,39-,40-/m1/s1
C40H46N4O6678.81642200
87966252

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25-,42-26u
C40H46N4O6678.81642200
95638272

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26u
C40H46N4O6678.81642200
98612058

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26u/t29?,30?,35-,36-,37-,38-,39+,40+/m0/s1
C40H46N4O6678.81641100
129165872

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26u/t29-,30-,35+,36+,37-,38+,39+,40+/m1/s1
C40H46N4O6678.81641100
24657006

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25-,42-26+/t29-,30-,35+,36+,37+,38+,39-,40-/m1/s1
C40H46N4O6678.81641100

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