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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
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Found 9 results

Search term: C44H78NO11P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30838682

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C44H78NO11P/c1-6-8-10-12-14-15-16-17-18-19-20-22-24-28-43(48)52-34-36(35-54-57(50,51)53-31-30-45(3,4)5)55-44(49)29-25-27-41-42(56-41)32-38-37(39(46)33-40(38)47)26-23-21-13-11-9-7-2/h21,23,32,36-37,39,41-42,46H,6-20,22,24-31,33-35H2,1-5H3/b23-21-,38-32+
C44H78NO11P828.0642200
113386138

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C44H78NO11P/c1-6-8-10-12-14-15-16-17-18-19-20-22-24-28-43(48)52-34-36(35-54-57(50,51)53-31-30-45(3,4)5)55-44(49)29-25-27-41-42(56-41)32-38-37(39(46)33-40(38)47)26-23-21-13-11-9-7-2/h21,23,32,36-37,39,41-42,46H,6-20,22,24-31,33-35H2,1-5H3/b23-21-,38-32+/t36-,37?,39?,41?,42?/m1/s1
C44H78NO11P828.0641100
128425285

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C44H78NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-24-28-43(49)53-35-38(36-55-57(51,52)54-33-32-45(3,4)5)56-44(50)29-25-21-20-23-27-39-40(42(48)34-41(39)47)31-30-37(46)26-22-9-7-2/h13-14,20,23,30-31,37-40,42,46,48H,6-12,15-19,21-22,24-29,32-36H2,1-5H3/b14-13-,23-20-,31-30+/t37-,38+,39+,40+,42+/m0/s1
C44H78NO11P828.0641100
128425286

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C44H78NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-25-29-44(50)56-38(36-55-57(51,52)54-33-32-45(3,4)5)35-53-43(49)28-24-21-20-23-27-39-40(42(48)34-41(39)47)31-30-37(46)26-22-9-7-2/h13-14,20,23,30-31,37-40,42,46,48H,6-12,15-19,21-22,24-29,32-36H2,1-5H3/b14-13-,23-20-,31-30+/t37-,38+,39+,40+,42+/m0/s1
C44H78NO11P828.0641100
128425287

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C44H78NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-24-28-43(49)53-35-38(36-55-57(51,52)54-33-32-45(3,4)5)56-44(50)29-25-21-20-23-27-39-40(42(48)34-41(39)47)31-30-37(46)26-22-9-7-2/h13-14,20,23,30-31,37-41,46-47H,6-12,15-19,21-22,24-29,32-36H2,1-5H3/b14-13-,23-20-,31-30+/t37-,38+,39+,40+,41-/m0/s1
C44H78NO11P828.0641100
128425288

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C44H78NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-25-29-44(50)56-38(36-55-57(51,52)54-33-32-45(3,4)5)35-53-43(49)28-24-21-20-23-27-39-40(42(48)34-41(39)47)31-30-37(46)26-22-9-7-2/h13-14,20,23,30-31,37-41,46-47H,6-12,15-19,21-22,24-29,32-36H2,1-5H3/b14-13-,23-20-,31-30+/t37-,38+,39+,40+,41-/m0/s1
C44H78NO11P828.0641100
128425384

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C44H78NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-28-43(49)53-35-38(36-55-57(51,52)54-33-32-45(3,4)5)56-44(50)29-25-24-27-39-40(42(48)34-41(39)47)31-30-37(46)26-22-9-7-2/h12-13,15-16,24-25,30-31,37-42,46-48H,6-11,14,17-23,26-29,32-36H2,1-5H3/b13-12-,16-15-,25-24-,31-30+/t37-,38-,39+,40-,41+,42-/m1/s1
C44H78NO11P828.0641100
128425385

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C44H78NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-29-44(50)56-38(36-55-57(51,52)54-33-32-45(3,4)5)35-53-43(49)28-25-24-27-39-40(42(48)34-41(39)47)31-30-37(46)26-22-9-7-2/h12-13,15-16,24-25,30-31,37-42,46-48H,6-11,14,17-23,26-29,32-36H2,1-5H3/b13-12-,16-15-,25-24-,31-30+/t37-,38-,39+,40-,41+,42-/m1/s1
C44H78NO11P828.0641100
9882408

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C44H78NO11P/c1-6-8-10-12-14-15-16-17-18-19-20-22-24-28-43(48)52-34-36(35-54-57(50,51)53-31-30-45(3,4)5)55-44(49)29-25-27-41-42(56-41)32-38-37(39(46)33-40(38)47)26-23-21-13-11-9-7-2/h21,23,32,36-37,39,41-42,46H,6-20,22,24-31,33-35H2,1-5H3/b23-21-,38-32+/t36?,37-,39-,41-,42-/m1/s1
C44H78NO11P828.0641100

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