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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 90 results

Search term: C44H78NO8P (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24766802

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,42H,6-8,10,12-13,18-19,24-41H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
C44H78NO8P780.0658161500
24766866

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,42H,6-7,9,11-13,18-19,24-41H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
C44H78NO8P780.0658161600
24766684

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,29,31,42H,6-13,15,18,22,24,26-28,30,32-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-,31-29-/t42-/m1/s1
C44H78NO8P780.0658131400
24766770

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,42H,6-8,10,12-14,16,18-19,24-26,28,30-41H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1
C44H78NO8P780.0658121200
24766801

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,42H,6-13,18-19,24-26,28,30-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-/t42-/m1/s1
C44H78NO8P780.0658121200
24766566

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,31,33,42H,6-13,15,17-18,21,24,26,28-30,32,34-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,33-31-/t42-/m1/s1
C44H78NO8P780.0658121200
24766567

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,42H,6-7,9,11-13,15,17-18,21,24,26,28-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
C44H78NO8P780.0658121200
24766598

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13-16,19-20,22-23,25,27,42H,6-12,17-18,21,24,26,28-41H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
C44H78NO8P780.0658121200
24766654

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,29,31,42H,6-7,9,11-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,31-29-/t42-/m1/s1
C44H78NO8P780.0658121400
24766833

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26,28,42H,6-13,18-19,24-25,27,29-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,28-26-/t42-/m1/s1
C44H78NO8P780.0658121200
24766898

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-23,26,28,42H,6-7,9,11-13,15,17-19,24-25,27,29-41H2,1-5H3/b10-8-,16-14-,22-20-,23-21-,28-26-/t42-/m1/s1
C44H78NO8P780.0658121200
24767091

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h14,16-17,19-21,23,25,28,30,42H,6-13,15,18,22,24,26-27,29,31-41H2,1-5H3/b16-14-,19-17-,21-20-,25-23-,30-28-/t42-/m1/s1
C44H78NO8P780.0658121200
24767156

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,28,30,42H,6-7,9,11-13,15,17-19,22,24,26-27,29,31-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,30-28-/t42-/m1/s1
C44H78NO8P780.0658121200
24767285

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h13-16,19-20,22-23,25,27,42H,6-12,17-18,21,24,26,28-41H2,1-5H3/b15-13-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
C44H78NO8P780.0658121200
24767350

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h8,10,14,16,19-20,22-23,25,27,42H,6-7,9,11-13,15,17-18,21,24,26,28-41H2,1-5H3/b10-8-,16-14-,20-19-,23-22-,27-25-/t42-/m1/s1
C44H78NO8P780.0658121200
24822373

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23,25,29,31,42H,6-7,9,11-13,15,17-19,22,24,26-28,30,32-41H2,1-5H3/b10-8-,16-14-,21-20-,25-23-,31-29-
C44H78NO8P780.0658121300
24767317

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-26-17-15-13-11-9-7-2/h14,16,19-20,22-23,25,27,30,32,42H,6-13,15,17-18,21,24,26,28-29,31,33-41H2,1-5H3/b16-14-,20-19-,23-22-,27-25-,32-30-/t42-/m1/s1
C44H78NO8P780.0658111100
24767124

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-24-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,23,25,42H,6-7,9,11-13,15,18,22,24,26-41H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,25-23-/t42-/m1/s1
C44H78NO8P780.0658111100
24766897

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-20,22,26,28,42H,6-7,9,11-13,15,18,21,23-25,27,29-41H2,1-5H3/b10-8-,16-14-,19-17-,22-20-,28-26-/t42-/m1/s1
C44H78NO8P780.0658111100
24766739

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C44H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15-18,21,23,27,29,42H,6-8,10,12-14,19-20,22,24-26,28,30-41H2,1-5H3/b11-9-,17-15-,18-16-,23-21-,29-27-/t42-/m1/s1
C44H78NO8P780.0658111100
12345

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