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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 27 results

Search term: C43H80NO7P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24769269

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,35,38,42H,3-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,24-22-,38-35-/t42-/m1/s1
C43H80NO7P754.07167800
24768797

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,35,38,42H,3-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
C43H80NO7P754.07165500
24768830

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,35,38,42H,3-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,24-22-,38-35-/t42-/m1/s1
C43H80NO7P754.07165500
24769268

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,35,38,42H,3-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,24-22-,30-28-,38-35-/t42-/m1/s1
C43H80NO7P754.07164400
24768765

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,35,38,42H,3-10,12,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,38-35-/t42-/m1/s1
C43H80NO7P754.07164400
24768766

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,35,38,42H,3-10,12,14-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,38-35-/t42-/m1/s1
C43H80NO7P754.07164400
24769299

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,35,38,42H,3-10,12,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,16-14-,19-17-,38-35-/t42-/m1/s1
C43H80NO7P754.07164400
24769332

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,35,38,42H,3-10,12,14-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,38-35-/t42-/m1/s1
C43H80NO7P754.07164400
24822849

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44(3,4)5)40-48-38-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,28,30,42H,6-13,15,17-19,22,25-27,29,31-41H2,1-5H3/b16-14-,21-20-,24-23-,30-28-/t42-/m1/s1
C43H80NO7P754.07162200
24822850

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C43H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44(3,4)5)40-48-38-35-33-31-29-27-25-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,28,30,42H,6-13,15,17-19,22,25-27,29,31-41H2,1-5H3/b16-14-,21-20-,24-23-,30-28-
C43H80NO7P754.07161100
59695371

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,42H,3-10,12,14-16,18,20-21,23,25-27,29,31-41,44H2,1-2H3,(H,46,47)/b13-11+,19-17+,24-22+,30-28+/t42-/m1/s1
C43H80NO7P754.07161200
59698883

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,35,38,42H,3-10,12,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11+,16-14+,19-17+,38-35+/t42-/m1/s1
C43H80NO7P754.07161100
59698884

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,35,38,42H,3-10,12,14-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11+,19-17+,20-18+,38-35+/t42-/m1/s1
C43H80NO7P754.07161100
59698915

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,35,38,42H,3-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17+,24-22+,30-28+,38-35+/t42-/m1/s1
C43H80NO7P754.07161100
59698948

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,35,38,42H,3-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11+,19-17+,24-22+,38-35+/t42-/m1/s1
C43H80NO7P754.07161100
59699758

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,22,24,28,30,35,38,42H,3-16,18,20-21,23,25-27,29,31-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17+,24-22+,30-28+,38-35+/t42-/m1/s1
C43H80NO7P754.07161100
59699759

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,35,38,42H,3-10,12,14-16,18,20-21,23,25-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11+,19-17+,24-22+,38-35+/t42-/m1/s1
C43H80NO7P754.07161100
24608309

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h13,15,19,21,24,26,30,32,42H,3-12,14,16-18,20,22-23,25,27-29,31,33-41,44H2,1-2H3,(H,46,47)/b15-13-,21-19-,26-24-,32-30-
C43H80NO7P754.07161600
24608457

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h19,21,24,26,30,32,35,38,42H,3-18,20,22-23,25,27-29,31,33-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b21-19-,26-24-,32-30-,38-35+
C43H80NO7P754.07161300
24608471

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,21-22,24,26,30,32,42H,3-16,18,20,23,25,27-29,31,33-41,44H2,1-2H3,(H,46,47)/b19-17-,22-21-,26-24-,32-30-
C43H80NO7P754.07161300
12

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