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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 89 results

Search term: C43H76NO9P (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113380871

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H76NO9P/c1-3-5-7-8-9-10-11-12-13-14-17-20-23-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-24-21-18-15-16-19-22-25-29-33-40(45)32-28-6-4-2/h15-16,21-22,24-25,29,33,41H,3-14,17-20,23,26-28,30-32,34-39,44H2,1-2H3,(H,48,49)/b16-15-,24-21-,25-22-,33-29+/t41-/m1/s1
C43H76NO9P782.03862200
117217515

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-33-40(45)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,19,21,25,27,29,32,41H,3-11,13,15-18,20,22-24,26,28,30-31,33-39,44H2,1-2H3,(H,48,49)/b14-12-,21-19-,27-25-,32-29+/t41-/m1/s1
C43H76NO9P782.03861100
117217516

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)35-31-33-40(45)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,19,21,25,27,29,32,41H,3-11,13,15-18,20,22-24,26,28,30-31,33-39,44H2,1-2H3,(H,48,49)/b14-12-,21-19-,27-25-,32-29+/t41-/m1/s1
C43H76NO9P782.03861100
117217517

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H76NO9P/c1-3-5-7-8-9-10-11-12-13-14-17-21-24-27-31-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-30-26-23-20-18-15-16-19-22-25-29-33-40(45)32-28-6-4-2/h15-16,20,22-23,25,29,33,41H,3-14,17-19,21,24,26-28,30-32,34-39,44H2,1-2H3,(H,48,49)/b16-15-,23-20-,25-22-,33-29+/t41-/m1/s1
C43H76NO9P782.03861100
117217528

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO9P/c1-3-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-32-29-26-23-20-17-14-13-15-18-21-24-27-30-33-40(45)4-2/h14-15,17-18,23-24,26-27,30,33,40-41,45H,3-13,16,19-22,25,28-29,31-32,34-39,44H2,1-2H3,(H,48,49)/b17-14-,18-15-,26-23-,27-24-,33-30+/t40-,41-/m1/s1
C43H76NO9P782.03861100
117217529

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO9P/c1-3-5-6-7-8-9-10-11-12-17-20-23-26-29-32-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-31-28-25-22-19-16-14-13-15-18-21-24-27-30-33-40(45)4-2/h14-16,18,22,24-25,27,30,33,40-41,45H,3-13,17,19-21,23,26,28-29,31-32,34-39,44H2,1-2H3,(H,48,49)/b16-14-,18-15-,25-22-,27-24-,33-30+/t40-,41+/m0/s1
C43H76NO9P782.03861100
117217530

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H76NO9P/c1-3-5-7-8-9-10-11-12-13-14-18-21-24-27-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-28-25-22-19-16-15-17-20-23-26-29-33-40(45)32-6-4-2/h6,15-16,20,22-23,25-26,29,32,40-41,45H,3-5,7-14,17-19,21,24,27-28,30-31,33-39,44H2,1-2H3,(H,48,49)/b16-15-,23-20-,25-22-,29-26+,32-6-/t40?,41-/m1/s1
C43H76NO9P782.03861100
117217531

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H76NO9P/c1-3-5-7-8-9-10-11-12-13-14-19-22-25-28-31-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-30-27-24-21-18-16-15-17-20-23-26-29-33-40(45)32-6-4-2/h6,15-16,20-21,23-24,26,29,32,40-41,45H,3-5,7-14,17-19,22,25,27-28,30-31,33-39,44H2,1-2H3,(H,48,49)/b16-15-,23-20-,24-21-,29-26+,32-6-/t40?,41-/m1/s1
C43H76NO9P782.03861100
117217532

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-22-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-23-20-19-21-25-29-33-40(45)32-28-24-10-8-6-4-2/h6,8,20-21,23-25,28-29,33,40-41,45H,3-5,7,9-19,22,26-27,30-32,34-39,44H2,1-2H3,(H,48,49)/b8-6-,23-20-,25-21-,28-24-,33-29+/t40?,41-/m1/s1
C43H76NO9P782.03861100
117217533

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-23-27-31-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-30-26-22-20-19-21-25-29-33-40(45)32-28-24-10-8-6-4-2/h6,8,20-22,24-25,28-29,33,40-41,45H,3-5,7,9-19,23,26-27,30-32,34-39,44H2,1-2H3,(H,48,49)/b8-6-,22-20-,25-21-,28-24-,33-29+/t40?,41-/m1/s1
C43H76NO9P782.03861100
117217534

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-33-40(45)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h6,8,12,14,19,21,25,27,29,32,40-41,45H,3-5,7,9-11,13,15-18,20,22-24,26,28,30-31,33-39,44H2,1-2H3,(H,48,49)/b8-6-,14-12-,21-19-,27-25-,32-29+/t40?,41-/m1/s1
C43H76NO9P782.03861100
117217535

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)35-31-33-40(45)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h6,8,12,14,19,21,25,27,29,32,40-41,45H,3-5,7,9-11,13,15-18,20,22-24,26,28,30-31,33-39,44H2,1-2H3,(H,48,49)/b8-6-,14-12-,21-19-,27-25-,32-29+/t40?,41-/m1/s1
C43H76NO9P782.03861100
117217561

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H76NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-29-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-30-26-23-20-17-16-18-21-24-28-32-41-40(53-41)31-27-6-4-2/h10-11,16,18,20,23-24,28,39-41H,3-9,12-15,17,19,21-22,25-27,29-38,44H2,1-2H3,(H,47,48)/b11-10-,18-16-,23-20-,28-24-/t39-,40?,41?/m1/s1
C43H76NO9P782.03861100
117217562

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H76NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-20-23-26-30-34-43(46)52-39(38-51-54(47,48)50-36-35-44)37-49-42(45)33-29-25-22-19-17-16-18-21-24-28-32-41-40(53-41)31-27-6-4-2/h10-11,16,18-19,22,24,28,39-41H,3-9,12-15,17,20-21,23,25-27,29-38,44H2,1-2H3,(H,47,48)/b11-10-,18-16-,22-19-,28-24-/t39-,40?,41?/m1/s1
C43H76NO9P782.03861100
117217563

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-21-25-29-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-30-26-22-19-20-24-28-32-41-40(53-41)31-27-23-10-8-6-4-2/h12-13,19,22-24,27-28,39-41H,3-11,14-18,20-21,25-26,29-38,44H2,1-2H3,(H,47,48)/b13-12-,22-19-,27-23-,28-24-/t39-,40?,41?/m1/s1
C43H76NO9P782.03861100
117217564

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-21-26-30-34-43(46)52-39(38-51-54(47,48)50-36-35-44)37-49-42(45)33-29-25-22-19-20-24-28-32-41-40(53-41)31-27-23-10-8-6-4-2/h12-13,19,22-24,27-28,39-41H,3-11,14-18,20-21,25-26,29-38,44H2,1-2H3,(H,47,48)/b13-12-,22-19-,27-23-,28-24-/t39-,40?,41?/m1/s1
C43H76NO9P782.03861100
117217565

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-29-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-30-26-25-28-32-41-40(53-41)31-27-23-21-19-12-10-8-6-4-2/h12-14,19,23,25,27-28,39-41H,3-11,15-18,20-22,24,26,29-38,44H2,1-2H3,(H,47,48)/b14-13-,19-12-,27-23-,28-25-/t39-,40?,41?/m1/s1
C43H76NO9P782.03861100
117217566

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-30-34-43(46)52-39(38-51-54(47,48)50-36-35-44)37-49-42(45)33-29-26-25-28-32-41-40(53-41)31-27-23-21-19-12-10-8-6-4-2/h12-14,19,23,25,27-28,39-41H,3-11,15-18,20-22,24,26,29-38,44H2,1-2H3,(H,47,48)/b14-13-,19-12-,27-23-,28-25-/t39-,40?,41?/m1/s1
C43H76NO9P782.03861100
117217567

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H76NO9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-30-32-41-40(53-41)31-28-26-24-22-20-16-14-12-10-8-6-4-2/h12-15,20,22,26,28,39-41H,3-11,16-19,21,23-25,27,29-38,44H2,1-2H3,(H,47,48)/b14-12-,15-13-,22-20-,28-26-/t39-,40?,41?/m1/s1
C43H76NO9P782.03861100
24608368

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C43H76NO9P/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-43(47)53-40(37-51-54(48,49)52-38-41(44)39(3)45)36-50-42(46)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2/h14,16,19-20,23,25,29,31,40-41H,4-13,15,17-18,21-22,24,26-28,30,32-38,44H2,1-3H3,(H,48,49)/b16-14-,20-19-,25-23-,31-29-
C43H76NO9P782.03861600
12345

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