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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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Found 25 results

Search term: C45H88NO7P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768956

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h14,16,37,40,44H,3-13,15,17-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,40-37-/t44-/m1/s1
C45H88NO7P786.15654400
24768957

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h18,20,37,40,44H,3-17,19,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b20-18-,40-37-/t44-/m1/s1
C45H88NO7P786.15654400
24768988

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1
C45H88NO7P786.15654400
24769214

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)51-42-44(43-53-54(48,49)52-41-39-46)50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1
C45H88NO7P786.15654400
24769248

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1
C45H88NO7P786.15654400
24769273

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,40-37-/t44-/m1/s1
C45H88NO7P786.15654400
24769305

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h14,16,37,40,44H,3-13,15,17-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14-,40-37-/t44-/m1/s1
C45H88NO7P786.15654400
24769338

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h18,20,37,40,44H,3-17,19,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b20-18-,40-37-/t44-/m1/s1
C45H88NO7P786.15654400
59699073

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h14,16,37,40,44H,3-13,15,17-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14+,40-37+/t44-/m1/s1
C45H88NO7P786.15651100
59699074

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h18,20,37,40,44H,3-17,19,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b20-18+,40-37+/t44-/m1/s1
C45H88NO7P786.15651100
59699105

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17+,40-37+/t44-/m1/s1
C45H88NO7P786.15651100
59699742

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17+,40-37+/t44-/m1/s1
C45H88NO7P786.15651100
59699763

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h17,19,37,40,44H,3-16,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17+,40-37+/t44-/m1/s1
C45H88NO7P786.15651100
59699790

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h14,16,37,40,44H,3-13,15,17-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b16-14+,40-37+/t44-/m1/s1
C45H88NO7P786.15651100
59699819

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h18,20,37,40,44H,3-17,19,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b20-18+,40-37+/t44-/m1/s1
C45H88NO7P786.15651100
113375938

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h11,13,17,19,44H,3-10,12,14-16,18,20-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-/t44-/m1/s1
C45H88NO7P786.15651100
113375959

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h12,14,18,20,44H,3-11,13,15-17,19,21-43,46H2,1-2H3,(H,48,49)/b14-12-,20-18-/t44-/m1/s1
C45H88NO7P786.15651100
113376003

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H88NO7P/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/h21-22,37,40,44H,3-20,23-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b22-21-,40-37-/t44-/m1/s1
C45H88NO7P786.15651100
24608458

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H88NO7P/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/h32,34,37,40,44H,3-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b34-32-,40-37+
C45H88NO7P786.15651300
24608478

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H88NO7P/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/h31-34,44H,3-30,35-43,46H2,1-2H3,(H,48,49)/b33-31-,34-32-
C45H88NO7P786.15651200
12

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