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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 16 results

Search term: C45H86NO7P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24769274

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40,44H,3-10,12,14-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,40-37-/t44-/m1/s1
C45H86NO7P784.14065500
24769306

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40,44H,3-13,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,19-17-,40-37-/t44-/m1/s1
C45H86NO7P784.14064400
24769339

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,37,40,44H,3-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,20-18-,40-37-/t44-/m1/s1
C45H86NO7P784.14064400
24768989

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40,44H,3-13,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,19-17-,40-37-/t44-/m1/s1
C45H86NO7P784.14064400
24768990

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,37,40,44H,3-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,20-18-,40-37-/t44-/m1/s1
C45H86NO7P784.14064400
24769021

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40,44H,3-10,12,14-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,40-37-/t44-/m1/s1
C45H86NO7P784.14064400
29273265

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h25,27,31-34,44H,3-24,26,28-30,35-43,46H2,1-2H3,(H,48,49)/b27-25-,33-31-,34-32-
C45H86NO7P784.14061100
59699106

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40,44H,3-13,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14+,19-17+,40-37+/t44-/m1/s1
C45H86NO7P784.14061100
59699107

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,37,40,44H,3-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17+,20-18+,40-37+/t44-/m1/s1
C45H86NO7P784.14061100
59699138

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40,44H,3-10,12,14-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11+,19-17+,40-37+/t44-/m1/s1
C45H86NO7P784.14061100
59699764

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,37,40,44H,3-10,12,14-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11+,19-17+,40-37+/t44-/m1/s1
C45H86NO7P784.14061100
59699791

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,37,40,44H,3-13,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14+,19-17+,40-37+/t44-/m1/s1
C45H86NO7P784.14061100
59699820

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20,37,40,44H,3-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17+,20-18+,40-37+/t44-/m1/s1
C45H86NO7P784.14061100
113375382

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46(3,4)5)53-45(47)38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h13,15,19,21,37,40,44H,6-12,14,16-18,20,22-36,38-39,41-43H2,1-5H3/b15-13-,21-19-,40-37-/t44-/m1/s1
C45H86NO7P784.14061100
113375960

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46)53-45(47)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,44H,3-11,13,15-17,19,21-23,25,27-43,46H2,1-2H3,(H,48,49)/b14-12-,20-18-,26-24-/t44-/m1/s1
C45H86NO7P784.14061100
113376025

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H86NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40-50-42-44(43-52-54(48,49)51-41-39-46)53-45(47)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40,44H,3-11,13,15-17,19,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b14-12-,20-18-,40-37-/t44-/m1/s1
C45H86NO7P784.14061100

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