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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
Additional Filters

Found 50 results

Search term: C45H79O14P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117216974

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C45H79O14P/c1-3-5-7-8-9-10-11-12-13-17-20-23-27-31-38(46)55-33-35(34-56-60(53,54)59-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)32-28-24-21-18-15-14-16-19-22-26-30-37-36(58-37)29-25-6-4-2/h14,16,18,21-22,26,35-37,40-45,48-52H,3-13,15,17,19-20,23-25,27-34H2,1-2H3,(H,53,54)/b16-14-,21-18-,26-22-/t35-,36?,37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117216975

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C45H79O14P/c1-3-5-7-8-9-10-11-12-13-18-21-24-28-32-39(47)57-35(34-56-60(53,54)59-45-43(51)41(49)40(48)42(50)44(45)52)33-55-38(46)31-27-23-20-17-15-14-16-19-22-26-30-37-36(58-37)29-25-6-4-2/h14,16-17,20,22,26,35-37,40-45,48-52H,3-13,15,18-19,21,23-25,27-34H2,1-2H3,(H,53,54)/b16-14-,20-17-,26-22-/t35-,36?,37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229593

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C45H79O14P/c1-3-5-7-9-11-12-13-14-15-16-19-23-27-31-38(46)55-33-35(34-56-60(53,54)59-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)32-28-24-20-17-18-22-26-30-37-36(58-37)29-25-21-10-8-6-4-2/h17,20-22,25-26,35-37,40-45,48-52H,3-16,18-19,23-24,27-34H2,1-2H3,(H,53,54)/b20-17-,25-21-,26-22-/t35-,36?,37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229594

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C45H79O14P/c1-3-5-7-9-11-12-13-14-15-16-19-24-28-32-39(47)57-35(34-56-60(53,54)59-45-43(51)41(49)40(48)42(50)44(45)52)33-55-38(46)31-27-23-20-17-18-22-26-30-37-36(58-37)29-25-21-10-8-6-4-2/h17,20-22,25-26,35-37,40-45,48-52H,3-16,18-19,23-24,27-34H2,1-2H3,(H,53,54)/b20-17-,25-21-,26-22-/t35-,36?,37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229595

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C45H79O14P/c1-3-5-7-9-11-13-14-15-16-18-20-22-27-31-38(46)55-33-35(34-56-60(53,54)59-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)32-28-24-23-26-30-37-36(58-37)29-25-21-19-17-12-10-8-6-4-2/h12,17,21,23,25-26,35-37,40-45,48-52H,3-11,13-16,18-20,22,24,27-34H2,1-2H3,(H,53,54)/b17-12-,25-21-,26-23-/t35-,36?,37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229596

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C45H79O14P/c1-3-5-7-9-11-13-14-15-16-18-20-22-28-32-39(47)57-35(34-56-60(53,54)59-45-43(51)41(49)40(48)42(50)44(45)52)33-55-38(46)31-27-24-23-26-30-37-36(58-37)29-25-21-19-17-12-10-8-6-4-2/h12,17,21,23,25-26,35-37,40-45,48-52H,3-11,13-16,18-20,22,24,27-34H2,1-2H3,(H,53,54)/b17-12-,25-21-,26-23-/t35-,36?,37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229597

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C45H79O14P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-38(46)55-33-35(34-56-60(53,54)59-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)32-28-30-37-36(58-37)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,35-37,40-45,48-52H,3-11,13,15-17,19,21-23,25,27-34H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-/t35-,36?,37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229598

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C45H79O14P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-39(47)57-35(34-56-60(53,54)59-45-43(51)41(49)40(48)42(50)44(45)52)33-55-38(46)32-28-30-37-36(58-37)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,35-37,40-45,48-52H,3-11,13,15-17,19,21-23,25,27-34H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-/t35-,36?,37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229599

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H79O14P/c1-2-3-4-5-6-7-8-14-17-20-23-26-29-32-38(47)56-35-37(36-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)58-39(48)33-30-27-24-21-18-15-12-10-9-11-13-16-19-22-25-28-31-34-46/h9,11-12,15-16,19,21,24,37,40-46,49-53H,2-8,10,13-14,17-18,20,22-23,25-36H2,1H3,(H,54,55)/b11-9-,15-12-,19-16-,24-21-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229600

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H79O14P/c1-2-3-4-5-6-7-8-14-18-21-24-27-30-33-39(48)58-37(36-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)35-56-38(47)32-29-26-23-20-17-15-12-10-9-11-13-16-19-22-25-28-31-34-46/h9,11-12,15-16,19-20,23,37,40-46,49-53H,2-8,10,13-14,17-18,21-22,24-36H2,1H3,(H,54,55)/b11-9-,15-12-,19-16-,23-20-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229601

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C45H79O14P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-36(46)31-29-33-39(48)58-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)34-56-38(47)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,27,30,36-37,40-46,49-53H,3-10,12,14-16,18,20-22,24,26,28-29,31-35H2,1-2H3,(H,54,55)/b13-11-,19-17-,25-23-,30-27+/t36-,37+,40-,41-,42+,43+,44+,45-/m0/s1
C45H79O14P875.07411100
117229602

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C45H79O14P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-36(46)31-29-33-38(47)56-34-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)58-39(48)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,27,30,36-37,40-46,49-53H,3-10,12,14-16,18,20-22,24,26,28-29,31-35H2,1-2H3,(H,54,55)/b13-11-,19-17-,25-23-,30-27+/t36-,37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229603

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C45H79O14P/c1-3-4-5-6-7-8-9-13-17-20-23-26-29-32-38(47)56-34-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)58-39(48)33-30-27-24-21-18-15-12-10-11-14-16-19-22-25-28-31-36(2)46/h11-12,14-15,19,21-22,24,36-37,40-46,49-53H,3-10,13,16-18,20,23,25-35H2,1-2H3,(H,54,55)/b14-11-,15-12-,22-19-,24-21-/t36-,37+,40-,41-,42+,43+,44+,45-/m0/s1
C45H79O14P875.07411100
117229604

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C45H79O14P/c1-3-4-5-6-7-8-9-13-18-21-24-27-30-33-39(48)58-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)34-56-38(47)32-29-26-23-20-17-15-12-10-11-14-16-19-22-25-28-31-36(2)46/h11-12,14-15,19-20,22-23,36-37,40-46,49-53H,3-10,13,16-18,21,24-35H2,1-2H3,(H,54,55)/b14-11-,15-12-,22-19-,23-20-/t36-,37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229605

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C45H79O14P/c1-3-5-6-7-8-9-10-13-17-20-23-26-29-32-38(47)56-34-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)58-39(48)33-30-27-24-21-18-15-12-11-14-16-19-22-25-28-31-36(46)4-2/h12,14-16,21-22,24-25,36-37,40-46,49-53H,3-11,13,17-20,23,26-35H2,1-2H3,(H,54,55)/b15-12-,16-14-,24-21-,25-22-/t36-,37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229606

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C45H79O14P/c1-3-5-6-7-8-9-10-13-18-21-24-27-30-33-39(48)58-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)34-56-38(47)32-29-26-23-20-17-15-12-11-14-16-19-22-25-28-31-36(46)4-2/h12,14-16,20,22-23,25,36-37,40-46,49-53H,3-11,13,17-19,21,24,26-35H2,1-2H3,(H,54,55)/b15-12-,16-14-,23-20-,25-22-/t36-,37+,40-,41-,42+,43+,44+,45-/m0/s1
C45H79O14P875.07411100
117229607

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C45H79O14P/c1-3-5-6-7-8-9-10-12-16-19-22-25-28-32-38(47)56-34-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)58-39(48)33-29-26-23-20-17-14-11-13-15-18-21-24-27-31-36(46)30-4-2/h11,14-15,18,20,23-24,27,36-37,40-46,49-53H,3-10,12-13,16-17,19,21-22,25-26,28-35H2,1-2H3,(H,54,55)/b14-11-,18-15-,23-20-,27-24-/t36?,37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229608

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C45H79O14P/c1-3-5-6-7-8-9-10-12-17-20-23-26-29-33-39(48)58-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)34-56-38(47)32-28-25-22-19-16-14-11-13-15-18-21-24-27-31-36(46)30-4-2/h11,14-15,18-19,22,24,27,36-37,40-46,49-53H,3-10,12-13,16-17,20-21,23,25-26,28-35H2,1-2H3,(H,54,55)/b14-11-,18-15-,22-19-,27-24-/t36?,37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229609

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C45H79O14P/c1-3-5-7-8-9-10-11-12-16-19-22-25-28-32-38(47)56-34-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)58-39(48)33-29-26-23-20-17-14-13-15-18-21-24-27-31-36(46)30-6-4-2/h13-14,18,20-21,23,27,31,36-37,40-46,49-53H,3-12,15-17,19,22,24-26,28-30,32-35H2,1-2H3,(H,54,55)/b14-13-,21-18-,23-20-,31-27-/t36-,37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H79O14P875.07411100
117229610

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C45H79O14P/c1-3-5-7-8-9-10-11-12-17-20-23-26-29-33-39(48)58-37(35-57-60(54,55)59-45-43(52)41(50)40(49)42(51)44(45)53)34-56-38(47)32-28-25-22-19-16-14-13-15-18-21-24-27-31-36(46)30-6-4-2/h13-14,18-19,21-22,27,31,36-37,40-46,49-53H,3-12,15-17,20,23-26,28-30,32-35H2,1-2H3,(H,54,55)/b14-13-,21-18-,22-19-,31-27-/t36-,37+,40-,41-,42+,43+,44+,45-/m0/s1
C45H79O14P875.07411100
123

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