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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 9 results

Search term: C47H80NO10P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
29273231

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C47H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-46(50)58-43(41-56-59(53,54)57-42-44(48)47(51)52)40-55-45(49)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,27,29,33,35,43-44H,3-4,6,8-10,12,14-16,18,20-21,24-26,28,30-32,34,36-42,48H2,1-2H3,(H,51,52)(H,53,54)/b7-5-,13-11-,19-17-,23-22-,29-27-,35-33-
C47H80NO10P850.11261600
113376344

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C47H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-46(50)58-43(41-56-59(53,54)57-42-44(48)47(51)52)40-55-45(49)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,27,29,33,35,43-44H,3-4,6,8-10,12,14-16,18,20-21,24-26,28,30-32,34,36-42,48H2,1-2H3,(H,51,52)(H,53,54)/b7-5-,13-11-,19-17-,23-22-,29-27-,35-33-/t43-,44+/m1/s1
C47H80NO10P850.11261100
113376523

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C47H80NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-45(49)55-40-43(41-56-59(53,54)57-42-44(48)47(51)52)58-46(50)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,43-44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-42,48H2,1-2H3,(H,51,52)(H,53,54)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-/t43-,44+/m1/s1
C47H80NO10P850.11261100
117218223

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C47H80NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31-37-46(51)55-41-45(42-57-59(53,54)56-40-39-48)58-47(52)38-32-26-30-36-44(50)35-29-24-21-19-20-23-28-34-43(49)33-27-6-4-2/h6,12-13,20-21,23-24,27-30,34-36,43-45,49-50H,3-5,7-11,14-19,22,25-26,31-33,37-42,48H2,1-2H3,(H,53,54)/b13-12-,23-20-,24-21-,27-6-,34-28+,35-29+,36-30-/t43-,44-,45+/m0/s1
C47H80NO10P850.11261100
117218224

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C47H80NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31-38-47(52)58-45(42-57-59(53,54)56-40-39-48)41-55-46(51)37-32-26-30-36-44(50)35-29-24-21-19-20-23-28-34-43(49)33-27-6-4-2/h6,12-13,20-21,23-24,27-30,34-36,43-45,49-50H,3-5,7-11,14-19,22,25-26,31-33,37-42,48H2,1-2H3,(H,53,54)/b13-12-,23-20-,24-21-,27-6-,34-28+,35-29+,36-30-/t43-,44-,45-/m1/s1
C47H80NO10P850.11261100
117218239

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C47H80NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-37-46(51)55-41-45(42-57-59(53,54)56-40-39-48)58-47(52)38-32-24-21-20-22-28-34-44(50)36-30-26-25-29-35-43(49)33-27-6-4-2/h6,12-13,21-22,24-30,35-36,43-45,49-50H,3-5,7-11,14-20,23,31-34,37-42,48H2,1-2H3,(H,53,54)/b13-12-,24-21-,26-25-,27-6-,28-22-,35-29+,36-30+/t43-,44+,45+/m0/s1
C47H80NO10P850.11261100
117218240

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C47H80NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-38-47(52)58-45(42-57-59(53,54)56-40-39-48)41-55-46(51)37-31-23-21-20-22-28-34-44(50)36-30-26-25-29-35-43(49)33-27-6-4-2/h6,12-13,21-23,25-30,35-36,43-45,49-50H,3-5,7-11,14-20,24,31-34,37-42,48H2,1-2H3,(H,53,54)/b13-12-,23-21-,26-25-,27-6-,28-22-,35-29+,36-30+/t43-,44+,45-/m1/s1
C47H80NO10P850.11261100
128424933

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C47H80NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-31-46(51)55-39-43(40-57-59(53,54)56-38-37-48)58-47(52)32-28-24-23-26-29-41-33-36-45(50)44(41)35-34-42(49)30-25-6-4-2/h9-10,12-13,23,26,33-36,41-44,49H,3-8,11,14-22,24-25,27-32,37-40,48H2,1-2H3,(H,53,54)/b10-9-,13-12-,26-23-,35-34+/t41-,42-,43+,44+/m0/s1
C47H80NO10P850.11261100
128424934

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C47H80NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-32-47(52)58-43(40-57-59(53,54)56-38-37-48)39-55-46(51)31-27-24-23-26-29-41-33-36-45(50)44(41)35-34-42(49)30-25-6-4-2/h9-10,12-13,23,26,33-36,41-44,49H,3-8,11,14-22,24-25,27-32,37-40,48H2,1-2H3,(H,53,54)/b10-9-,13-12-,26-23-,35-34+/t41-,42-,43+,44+/m0/s1
C47H80NO10P850.11261100

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