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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
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Single/Multi-component
Isotopically Labeled
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Found 48 results

Search term: C44H84NO7P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24958570

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3/b16-14-,22-20-,25-24-/t43-/m1/s1
C44H84NO7P770.114272500
4947191

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,43H,6-14,16,18-19,24-42H2,1-5H3/b17-15-,22-20-,23-21-/t43-/m1/s1
C44H84NO7P770.114141400
24767492

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,36,39,43H,6-13,15,17-19,21,23-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,39-36-/t43-/m1/s1
C44H84NO7P770.114111100
24767519

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,36,39,43H,6-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,39-36-/t43-/m1/s1
C44H84NO7P770.114111200
24767550

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,36,39,43H,6-15,20-35,37-38,40-42H2,1-5H3/b18-16-,19-17-,39-36-/t43-/m1/s1
C44H84NO7P770.114111100
28468274

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3/b16-14+,22-20+,25-24+
C44H84NO7P770.11411800
35032611

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15-18,21,23,43H,6-14,19-20,22,24-42H2,1-5H3/b17-15-,18-16-,23-21-/t43-/m1/s1
C44H84NO7P770.114111100
24767551

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,21,23,36,39,43H,6-15,17,19-20,22,24-35,37-38,40-42H2,1-5H3/b18-16-,23-21-,39-36-/t43-/m1/s1
C44H84NO7P770.114101000
24767583

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,36,39,43H,6-16,18,21,23-35,37-38,40-42H2,1-5H3/b19-17-,22-20-,39-36-/t43-/m1/s1
C44H84NO7P770.114101000
24767584

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,36,39,43H,6-19,24-35,37-38,40-42H2,1-5H3/b22-20-,23-21-,39-36-/t43-/m1/s1
C44H84NO7P770.114101000
24766759

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,36,39,43H,6-15,20-35,37-38,40-42H2,1-5H3/b18-16-,19-17-,39-36-
C44H84NO7P770.114101000
24766760

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19-20,22,36,39,43H,6-16,18,21,23-35,37-38,40-42H2,1-5H3/b19-17-,22-20-,39-36-
C44H84NO7P770.114101000
24766790

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,21,23,36,39,43H,6-15,17,19-20,22,24-35,37-38,40-42H2,1-5H3/b18-16-,23-21-,39-36-
C44H84NO7P770.114101000
24766791

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,36,39,43H,6-19,24-35,37-38,40-42H2,1-5H3/b22-20-,23-21-,39-36-
C44H84NO7P770.114101000
24766822

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-43(42-52-53(47,48)51-40-38-45(3,4)5)41-50-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,36,39,43H,6-14,16,18-20,22,24-35,37-38,40-42H2,1-5H3/b17-15-,23-21-,39-36-
C44H84NO7P770.114101000
24767017

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,36,39,43H,6-13,15,17-19,21,23-35,37-38,40-42H2,1-5H3/b16-14-,22-20-,39-36-
C44H84NO7P770.114101000
28296217

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)50-41-43(42-52-53(47,48)51-40-38-45(3,4)5)49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3/b16-14-,22-20-,25-24-/t43-/m1/s1
C44H84NO7P770.1145700
32821275

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)42(41-52-53(48,49)51-39-38-45(3,4)5)40-50-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/b22-20-,23-21+
C44H84NO7P770.1144400
1500

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,43H,6-13,15,17-19,21,23,26-42H2,1-5H3
C44H84NO7P770.1143300
75319975

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H84NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,27,29,43H,6-14,16,18-20,22,24-26,28,30-42H2,1-5H3/b17-15-,23-21-,29-27-/t43-/m1/s1
C44H84NO7P770.1142200
123

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