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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 44 results

Search term: C47H83O14P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117229903

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C47H83O14P/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-29-33-40(48)57-35-37(36-58-62(55,56)61-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)34-30-26-23-20-17-16-18-21-24-28-32-39-38(60-39)31-27-6-4-2/h16,18,20,23-24,28,37-39,42-47,50-54H,3-15,17,19,21-22,25-27,29-36H2,1-2H3,(H,55,56)/b18-16-,23-20-,28-24-/t37-,38?,39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229904

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C47H83O14P/c1-3-5-7-8-9-10-11-12-13-14-15-20-23-26-30-34-41(49)59-37(36-58-62(55,56)61-47-45(53)43(51)42(50)44(52)46(47)54)35-57-40(48)33-29-25-22-19-17-16-18-21-24-28-32-39-38(60-39)31-27-6-4-2/h16,18-19,22,24,28,37-39,42-47,50-54H,3-15,17,20-21,23,25-27,29-36H2,1-2H3,(H,55,56)/b18-16-,22-19-,28-24-/t37-,38?,39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229905

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C47H83O14P/c1-3-5-7-9-11-12-13-14-15-16-17-18-21-25-29-33-40(48)57-35-37(36-58-62(55,56)61-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)34-30-26-22-19-20-24-28-32-39-38(60-39)31-27-23-10-8-6-4-2/h19,22-24,27-28,37-39,42-47,50-54H,3-18,20-21,25-26,29-36H2,1-2H3,(H,55,56)/b22-19-,27-23-,28-24-/t37-,38?,39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229906

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C47H83O14P/c1-3-5-7-9-11-12-13-14-15-16-17-18-21-26-30-34-41(49)59-37(36-58-62(55,56)61-47-45(53)43(51)42(50)44(52)46(47)54)35-57-40(48)33-29-25-22-19-20-24-28-32-39-38(60-39)31-27-23-10-8-6-4-2/h19,22-24,27-28,37-39,42-47,50-54H,3-18,20-21,25-26,29-36H2,1-2H3,(H,55,56)/b22-19-,27-23-,28-24-/t37-,38?,39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229907

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C47H83O14P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-29-33-40(48)57-35-37(36-58-62(55,56)61-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)34-30-26-25-28-32-39-38(60-39)31-27-23-21-19-12-10-8-6-4-2/h12,19,23,25,27-28,37-39,42-47,50-54H,3-11,13-18,20-22,24,26,29-36H2,1-2H3,(H,55,56)/b19-12-,27-23-,28-25-/t37-,38?,39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229908

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C47H83O14P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-30-34-41(49)59-37(36-58-62(55,56)61-47-45(53)43(51)42(50)44(52)46(47)54)35-57-40(48)33-29-26-25-28-32-39-38(60-39)31-27-23-21-19-12-10-8-6-4-2/h12,19,23,25,27-28,37-39,42-47,50-54H,3-11,13-18,20-22,24,26,29-36H2,1-2H3,(H,55,56)/b19-12-,27-23-,28-25-/t37-,38?,39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229909

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C47H83O14P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-33-40(48)57-35-37(36-58-62(55,56)61-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)34-30-32-39-38(60-39)31-28-26-24-22-20-16-14-12-10-8-6-4-2/h12,14,20,22,26,28,37-39,42-47,50-54H,3-11,13,15-19,21,23-25,27,29-36H2,1-2H3,(H,55,56)/b14-12-,22-20-,28-26-/t37-,38?,39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229910

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C47H83O14P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-33-41(49)59-37(36-58-62(55,56)61-47-45(53)43(51)42(50)44(52)46(47)54)35-57-40(48)34-30-32-39-38(60-39)31-28-26-24-22-20-16-14-12-10-8-6-4-2/h12,14,20,22,26,28,37-39,42-47,50-54H,3-11,13,15-19,21,23-25,27,29-36H2,1-2H3,(H,55,56)/b14-12-,22-20-,28-26-/t37-,38?,39?,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229911

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H83O14P/c1-2-3-4-5-6-7-8-9-13-16-19-22-25-28-31-34-40(49)58-37-39(38-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)60-41(50)35-32-29-26-23-20-17-14-11-10-12-15-18-21-24-27-30-33-36-48/h10,12,14,17-18,21,23,26,39,42-48,51-55H,2-9,11,13,15-16,19-20,22,24-25,27-38H2,1H3,(H,56,57)/b12-10-,17-14-,21-18-,26-23-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229912

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C47H83O14P/c1-2-3-4-5-6-7-8-9-13-17-20-23-26-29-32-35-41(50)60-39(38-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)37-58-40(49)34-31-28-25-22-19-16-14-11-10-12-15-18-21-24-27-30-33-36-48/h10,12,14,16,18,21-22,25,39,42-48,51-55H,2-9,11,13,15,17,19-20,23-24,26-38H2,1H3,(H,56,57)/b12-10-,16-14-,21-18-,25-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229913

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C47H83O14P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-40(49)58-36-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)60-41(50)35-31-33-38(48)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,19,21,25,27,29,32,38-39,42-48,51-55H,3-11,13,15-18,20,22-24,26,28,30-31,33-37H2,1-2H3,(H,56,57)/b14-12-,21-19-,27-25-,32-29+/t38-,39+,42-,43-,44+,45+,46+,47-/m0/s1
C47H83O14P903.12731100
117229914

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C47H83O14P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-41(50)60-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)36-58-40(49)35-31-33-38(48)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,19,21,25,27,29,32,38-39,42-48,51-55H,3-11,13,15-18,20,22-24,26,28,30-31,33-37H2,1-2H3,(H,56,57)/b14-12-,21-19-,27-25-,32-29+/t38-,39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229915

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C47H83O14P/c1-3-4-5-6-7-8-9-10-12-16-19-22-25-28-31-34-40(49)58-36-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)60-41(50)35-32-29-26-23-20-17-14-11-13-15-18-21-24-27-30-33-38(2)48/h13-15,17,21,23-24,26,38-39,42-48,51-55H,3-12,16,18-20,22,25,27-37H2,1-2H3,(H,56,57)/b15-13-,17-14-,24-21-,26-23-/t38-,39+,42-,43-,44+,45+,46+,47-/m0/s1
C47H83O14P903.12731100
117229916

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C47H83O14P/c1-3-4-5-6-7-8-9-10-12-17-20-23-26-29-32-35-41(50)60-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)36-58-40(49)34-31-28-25-22-19-16-14-11-13-15-18-21-24-27-30-33-38(2)48/h13-16,21-22,24-25,38-39,42-48,51-55H,3-12,17-20,23,26-37H2,1-2H3,(H,56,57)/b15-13-,16-14-,24-21-,25-22-/t38-,39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229917

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C47H83O14P/c1-3-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34-40(49)58-36-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)60-41(50)35-32-29-26-23-20-17-14-13-15-18-21-24-27-30-33-38(48)4-2/h14-15,17-18,23-24,26-27,38-39,42-48,51-55H,3-13,16,19-22,25,28-37H2,1-2H3,(H,56,57)/b17-14-,18-15-,26-23-,27-24-/t38-,39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229918

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C47H83O14P/c1-3-5-6-7-8-9-10-11-12-17-20-23-26-29-32-35-41(50)60-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)36-58-40(49)34-31-28-25-22-19-16-14-13-15-18-21-24-27-30-33-38(48)4-2/h14-16,18,22,24-25,27,38-39,42-48,51-55H,3-13,17,19-21,23,26,28-37H2,1-2H3,(H,56,57)/b16-14-,18-15-,25-22-,27-24-/t38-,39+,42-,43-,44+,45+,46+,47-/m0/s1
C47H83O14P903.12731100
117229919

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C47H83O14P/c1-3-5-6-7-8-9-10-11-12-15-18-21-24-27-30-34-40(49)58-36-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)60-41(50)35-31-28-25-22-19-16-13-14-17-20-23-26-29-33-38(48)32-4-2/h13,16-17,20,22,25-26,29,38-39,42-48,51-55H,3-12,14-15,18-19,21,23-24,27-28,30-37H2,1-2H3,(H,56,57)/b16-13-,20-17-,25-22-,29-26-/t38?,39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229920

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C47H83O14P/c1-3-5-6-7-8-9-10-11-12-15-19-22-25-28-31-35-41(50)60-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)36-58-40(49)34-30-27-24-21-18-16-13-14-17-20-23-26-29-33-38(48)32-4-2/h13,16-17,20-21,24,26,29,38-39,42-48,51-55H,3-12,14-15,18-19,22-23,25,27-28,30-37H2,1-2H3,(H,56,57)/b16-13-,20-17-,24-21-,29-26-/t38?,39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229921

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C47H83O14P/c1-3-5-7-8-9-10-11-12-13-14-18-21-24-27-30-34-40(49)58-36-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)60-41(50)35-31-28-25-22-19-16-15-17-20-23-26-29-33-38(48)32-6-4-2/h15-16,20,22-23,25,29,33,38-39,42-48,51-55H,3-14,17-19,21,24,26-28,30-32,34-37H2,1-2H3,(H,56,57)/b16-15-,23-20-,25-22-,33-29-/t38-,39-,42-,43-,44+,45-,46-,47-/m1/s1
C47H83O14P903.12731100
117229922

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C47H83O14P/c1-3-5-7-8-9-10-11-12-13-14-19-22-25-28-31-35-41(50)60-39(37-59-62(56,57)61-47-45(54)43(52)42(51)44(53)46(47)55)36-58-40(49)34-30-27-24-21-18-16-15-17-20-23-26-29-33-38(48)32-6-4-2/h15-16,20-21,23-24,29,33,38-39,42-48,51-55H,3-14,17-19,22,25-28,30-32,34-37H2,1-2H3,(H,56,57)/b16-15-,23-20-,24-21-,33-29-/t38-,39+,42-,43-,44+,45+,46+,47-/m0/s1
C47H83O14P903.12731100
123

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