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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 25 results

Search term: C43H77O13P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113377915

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h11,13,16-17,19-20,35,38-43,46-50H,3-10,12,14-15,18,21-34H2,1-2H3,(H,51,52)/b13-11-,17-16-,20-19-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113377940

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-37(45)55-35(33-53-36(44)31-29-27-25-23-21-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h10-13,16-17,35,38-43,46-50H,3-9,14-15,18-34H2,1-2H3,(H,51,52)/b12-10-,13-11-,17-16-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113378068

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,15-18,35,38-43,46-50H,3-9,11,13-14,19-34H2,1-2H3,(H,51,52)/b12-10-,17-15-,18-16-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113378098

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15-18,35,38-43,46-50H,3-8,10,12-14,19-34H2,1-2H3,(H,51,52)/b11-9-,17-15-,18-16-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113378157

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,35,38-43,46-50H,3-10,12,15,19-34H2,1-2H3,(H,51,52)/b13-11-,16-14-,18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113378183

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,21,23,35,38-43,46-50H,3-10,12,14-16,19-20,22,24-34H2,1-2H3,(H,51,52)/b13-11-,18-17-,23-21-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113378372

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-24-21-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h10-13,16-17,35,38-43,46-50H,3-9,14-15,18-34H2,1-2H3,(H,51,52)/b12-10-,13-11-,17-16-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113378402

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(44)53-33-35(55-37(45)32-30-28-26-24-21-14-12-10-8-6-4-2)34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50/h11,13,16-17,19-20,35,38-43,46-50H,3-10,12,14-15,18,21-34H2,1-2H3,(H,51,52)/b13-11-,17-16-,20-19-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113378711

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13-14,16-18,35,38-43,46-50H,3-10,12,15,19-34H2,1-2H3,(H,51,52)/b13-11-,16-14-,18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113378716

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,35,38-43,46-50H,3-10,12,14-16,19-21,23,25-34H2,1-2H3,(H,51,52)/b13-11-,18-17-,24-22-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113378763

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(44)53-33-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)55-37(45)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38-43,46-50H,3-4,6,8-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b7-5-,13-11-,18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
113378780

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38-43,46-50H,3-4,6,8-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b7-5-,13-11-,18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H77O13P833.03741100
117225370

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C43H77O13P/c1-4-6-19-26-37(45)27-21-16-13-14-17-22-28-40(47)41(48)29-24-31-43(50)56-39(35-55-57(51,52)54-33-38(46)32-44)34-53-42(49)30-23-18-12-10-8-7-9-11-15-20-25-36(3)5-2/h13-14,16-17,21-22,27-28,36-41,44-48H,4-12,15,18-20,23-26,29-35H2,1-3H3,(H,51,52)/b16-13-,17-14+,27-21+,28-22+/t36?,37-,38-,39+,40-,41-/m0/s1
C43H77O13P833.03741100
117225371

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C43H77O13P/c1-4-6-19-26-37(45)27-21-16-13-14-17-22-28-40(47)41(48)29-24-31-42(49)53-34-39(35-55-57(51,52)54-33-38(46)32-44)56-43(50)30-23-18-12-10-8-7-9-11-15-20-25-36(3)5-2/h13-14,16-17,21-22,27-28,36-41,44-48H,4-12,15,18-20,23-26,29-35H2,1-3H3,(H,51,52)/b16-13-,17-14+,27-21+,28-22+/t36?,37-,38+,39-,40-,41-/m1/s1
C43H77O13P833.03741100
117226016

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C43H77O13P/c1-4-5-19-26-37(45)27-21-16-13-14-17-22-28-40(47)41(48)29-24-31-43(50)56-39(35-55-57(51,52)54-33-38(46)32-44)34-53-42(49)30-23-18-12-10-8-6-7-9-11-15-20-25-36(2)3/h13-14,16-17,21-22,27-28,36-41,44-48H,4-12,15,18-20,23-26,29-35H2,1-3H3,(H,51,52)/b16-13-,17-14+,27-21+,28-22+/t37-,38-,39+,40-,41-/m0/s1
C43H77O13P833.03741100
117226017

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C43H77O13P/c1-4-5-19-26-37(45)27-21-16-13-14-17-22-28-40(47)41(48)29-24-31-42(49)53-34-39(35-55-57(51,52)54-33-38(46)32-44)56-43(50)30-23-18-12-10-8-6-7-9-11-15-20-25-36(2)3/h13-14,16-17,21-22,27-28,36-41,44-48H,4-12,15,18-20,23-26,29-35H2,1-3H3,(H,51,52)/b16-13-,17-14+,27-21+,28-22+/t37-,38+,39-,40-,41-/m1/s1
C43H77O13P833.03741100
128427796

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H77O13P/c1-4-6-17-23-35(45)27-28-39-38(40(47)29-41(39)48)24-19-15-16-21-26-43(50)56-37(33-55-57(51,52)54-31-36(46)30-44)32-53-42(49)25-20-14-12-10-8-7-9-11-13-18-22-34(3)5-2/h15,19,27-28,34-39,41,44-46,48H,4-14,16-18,20-26,29-33H2,1-3H3,(H,51,52)/b19-15-,28-27+/t34?,35-,36-,37+,38+,39+,41+/m0/s1
C43H77O13P833.03741100
128427797

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H77O13P/c1-4-6-17-23-35(45)27-28-39-38(40(47)29-41(39)48)24-19-15-16-20-25-42(49)53-32-37(33-55-57(51,52)54-31-36(46)30-44)56-43(50)26-21-14-12-10-8-7-9-11-13-18-22-34(3)5-2/h15,19,27-28,34-39,41,44-46,48H,4-14,16-18,20-26,29-33H2,1-3H3,(H,51,52)/b19-15-,28-27+/t34?,35-,36-,37+,38+,39+,41+/m0/s1
C43H77O13P833.03741100
128427798

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H77O13P/c1-4-6-17-23-35(45)27-28-39-38(40(47)29-41(39)48)24-19-15-16-21-26-43(50)56-37(33-55-57(51,52)54-31-36(46)30-44)32-53-42(49)25-20-14-12-10-8-7-9-11-13-18-22-34(3)5-2/h15,19,27-28,34-40,44-47H,4-14,16-18,20-26,29-33H2,1-3H3,(H,51,52)/b19-15-,28-27+/t34?,35-,36-,37+,38+,39+,40-/m0/s1
C43H77O13P833.03741100
128427799

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H77O13P/c1-4-6-17-23-35(45)27-28-39-38(40(47)29-41(39)48)24-19-15-16-20-25-42(49)53-32-37(33-55-57(51,52)54-31-36(46)30-44)56-43(50)26-21-14-12-10-8-7-9-11-13-18-22-34(3)5-2/h15,19,27-28,34-40,44-47H,4-14,16-18,20-26,29-33H2,1-3H3,(H,51,52)/b19-15-,28-27+/t34?,35-,36-,37+,38+,39+,40-/m0/s1
C43H77O13P833.03741100
12

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