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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 45 results

Search term: C43H79O13P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28639235

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H79O13P/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/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11-,18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
C43H79O13P835.05334500
9248039

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C43H79O13P/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/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11-,18-17-/t35-,38?,39-,40+,41-,42-,43?/m1/s1
C43H79O13P835.05334400
4947111

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C43H79O13P/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/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11-,18-17-/t35-,38?,39-,40+,41+,42+,43?/m1/s1
C43H79O13P835.05332200
4975953

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C43H79O13P/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/h13,15,18,20,35,38-43,46-50H,3-12,14,16-17,19,21-34H2,1-2H3,(H,51,52)/b15-13-,20-18-/t35-,38?,39-,40+,41+,42+,43?/m1/s1
C43H79O13P835.05332200
8435396

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C43H79O13P/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/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11+,18-17+/t35-,38?,39-,40+,41+,42+,43?/m0/s1
C43H79O13P835.05332100
24767669

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C43H79O13P/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/h11,13,17-18,35,38-43,46-50H,3-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b13-11-,18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
C43H79O13P835.05331100
24767685

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C43H79O13P/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/h13-16,35,38-43,46-50H,3-12,17-34H2,1-2H3,(H,51,52)/b15-13-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
C43H79O13P835.05331100
24767686

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C43H79O13P/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/h14,16-18,35,38-43,46-50H,3-13,15,19-34H2,1-2H3,(H,51,52)/b16-14-,18-17-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
C43H79O13P835.05331100
24767688

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C43H79O13P/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/h8,10,14,16,35,38-43,46-50H,3-7,9,11-13,15,17-34H2,1-2H3,(H,51,52)/b10-8-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
C43H79O13P835.05331100
24767692

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C43H79O13P/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/h8,10,14,16,35,38-43,46-50H,3-7,9,11-13,15,17-34H2,1-2H3,(H,51,52)/b10-8-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
C43H79O13P835.05331100
24767708

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C43H79O13P/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/h13-16,35,38-43,46-50H,3-12,17-34H2,1-2H3,(H,51,52)/b15-13-,16-14-/t35-,38?,39-,40?,41?,42?,43-/m1/s1
C43H79O13P835.05331100
34527168

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H79O13P/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/h13,15,18,20,35,38-43,46-50H,3-12,14,16-17,19,21-34H2,1-2H3,(H,51,52)/b15-13-,20-18-/t35-,38-,39-,40+,41+,42+,43-/m1/s1
C43H79O13P835.05331100
128427802

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C43H79O13P/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/h15,19,27-28,34-41,44-48H,4-14,16-18,20-26,29-33H2,1-3H3,(H,51,52)/b19-15+,28-27+/t34?,35-,36-,37+,38+,39+,40-,41+/m0/s1
C43H79O13P835.05331100
128427803

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C43H79O13P/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/h15,19,27-28,34-41,44-48H,4-14,16-18,20-26,29-33H2,1-3H3,(H,51,52)/b19-15+,28-27+/t34?,35-,36-,37+,38+,39+,40-,41+/m0/s1
C43H79O13P835.05331100
128427808

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H79O13P/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/h27-28,34-39,41,44-46,48H,4-26,29-33H2,1-3H3,(H,51,52)/b28-27+/t34?,35-,36-,37+,38+,39+,41+/m0/s1
C43H79O13P835.05331100
128427809

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H79O13P/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/h27-28,34-39,41,44-46,48H,4-26,29-33H2,1-3H3,(H,51,52)/b28-27+/t34?,35-,36-,37+,38+,39+,41+/m0/s1
C43H79O13P835.05331100
128427810

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H79O13P/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/h27-28,34-40,44-47H,4-26,29-33H2,1-3H3,(H,51,52)/b28-27+/t34?,35-,36-,37+,38+,39+,40-/m0/s1
C43H79O13P835.05331100
128427811

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C43H79O13P/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/h27-28,34-40,44-47H,4-26,29-33H2,1-3H3,(H,51,52)/b28-27+/t34?,35-,36-,37+,38+,39+,40-/m0/s1
C43H79O13P835.05331100
128427946

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C43H79O13P/c1-4-5-17-23-35(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)25-20-14-12-10-8-6-7-9-11-13-18-22-34(2)3/h15,19,27-28,34-41,44-48H,4-14,16-18,20-26,29-33H2,1-3H3,(H,51,52)/b19-15+,28-27+/t35-,36-,37+,38+,39+,40-,41+/m0/s1
C43H79O13P835.05331100
123

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