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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 18 results

Search term: C45H84NO7P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24769022

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h11,13-14,16-17,19,37,40,44H,3-10,12,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,40-37-/t44-/m1/s1
C45H84NO7P782.12474400
24769023

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h11,13,17-20,37,40,44H,3-10,12,14-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,40-37-/t44-/m1/s1
C45H84NO7P782.12474400
24769307

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h11,13-14,16-17,19,37,40,44H,3-10,12,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,16-14-,19-17-,40-37-/t44-/m1/s1
C45H84NO7P782.12474400
24769340

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h11,13,17-20,37,40,44H,3-10,12,14-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,20-18-,40-37-/t44-/m1/s1
C45H84NO7P782.12474400
24822882

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46(3,4)5)42-50-40-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h14,16,20,22,24,26,30,32,44H,6-13,15,17-19,21,23,25,27-29,31,33-43H2,1-5H3/b16-14-,22-20-,26-24-,32-30-/t44-/m1/s1
C45H84NO7P782.12472200
24822883

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46(3,4)5)42-50-40-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h14,16,20,22,24,26,30,32,44H,6-13,15,17-19,21,23,25,27-29,31,33-43H2,1-5H3/b16-14-,22-20-,26-24-,32-30-
C45H84NO7P782.12471100
59699139

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h11,13-14,16-17,19,37,40,44H,3-10,12,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11+,16-14+,19-17+,40-37+/t44-/m1/s1
C45H84NO7P782.12471100
59699140

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h11,13,17-20,37,40,44H,3-10,12,14-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11+,19-17+,20-18+,40-37+/t44-/m1/s1
C45H84NO7P782.12471100
59699792

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h11,13-14,16-17,19,37,40,44H,3-10,12,15,18,20-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11+,16-14+,19-17+,40-37+/t44-/m1/s1
C45H84NO7P782.12471100
59699821

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h11,13,17-20,37,40,44H,3-10,12,14-16,21-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b13-11+,19-17+,20-18+,40-37+/t44-/m1/s1
C45H84NO7P782.12471100
113375939

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h11,13,17,19,22-23,26,28,44H,3-10,12,14-16,18,20-21,24-25,27,29-43,46H2,1-2H3,(H,48,49)/b13-11-,19-17-,23-22-,28-26-/t44-/m1/s1
C45H84NO7P782.12471100
113375961

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h12,14,18,20,24,26,30,32,44H,3-11,13,15-17,19,21-23,25,27-29,31,33-43,46H2,1-2H3,(H,48,49)/b14-12-,20-18-,26-24-,32-30-/t44-/m1/s1
C45H84NO7P782.12471100
113376026

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO7P/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/h12,14,18,20,24,26,37,40,44H,3-11,13,15-17,19,21-23,25,27-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b14-12-,20-18-,26-24-,40-37-/t44-/m1/s1
C45H84NO7P782.12471100
17593781

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H84NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-45(47)53-44(43-52-54(48,49)51-42-39-46(3,4)5)38-41-50-40-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,44H,6-13,15,17-19,21,23,26-28,30,32-43H2,1-5H3/b16-14+,22-20+,25-24+,31-29+
C45H84NO7P782.12471100
24608310

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H84NO7P/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/h14,16,20,22,26,28,32,34,44H,3-13,15,17-19,21,23-25,27,29-31,33,35-43,46H2,1-2H3,(H,48,49)/b16-14-,22-20-,28-26-,34-32-
C45H84NO7P782.12471300
24608459

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H84NO7P/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/h22-23,26,28,32,34,37,40,44H,3-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b23-22-,28-26-,34-32-,40-37+
C45H84NO7P782.12471300
24608465

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H84NO7P/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/h26,28,31-34,37,40,44H,3-25,27,29-30,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b28-26-,33-31-,34-32-,40-37+
C45H84NO7P782.12471300
24608475

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H84NO7P/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/h17,19,22-23,26,28,32,34,44H,3-16,18,20-21,24-25,27,29-31,33,35-43,46H2,1-2H3,(H,48,49)/b19-17-,23-22-,28-26-,34-32-
C45H84NO7P782.12471300

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