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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 34 results

Search term: C45H83O13P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30786278

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40-45,48-52H,3-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10654500
4696844

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40-45,48-52H,3-16,21-36H2,1-2H3,(H,53,54)/b19-17-,20-18-/t37-,40?,41-,42?,43?,44?,45?/m1/s1
C45H83O13P863.10652200
4947194

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40-45,48-52H,3-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,20-18-/t37-,40?,41-,42+,43+,44+,45?/m1/s1
C45H83O13P863.10652200
8008316

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40-45,48-52H,3-16,21-36H2,1-2H3,(H,53,54)/b19-17+,20-18+/t37?,40?,41-,42+,43-,44-,45?/m0/s1
C45H83O13P863.10652100
24608351

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h22,24,28,30,37,40-45,48-52H,3-21,23,25-27,29,31-36H2,1-2H3,(H,53,54)/b24-22-,30-28-/t37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651300
24767671

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,37,40-45,48-52H,3-10,12,14-16,19-36H2,1-2H3,(H,53,54)/b13-11-,18-17-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
C45H83O13P863.10651100
24767694

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,37,40-45,48-52H,3-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
C45H83O13P863.10651100
24767709

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,37,40-45,48-52H,3-12,17-36H2,1-2H3,(H,53,54)/b15-13-,16-14-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
C45H83O13P863.10651100
24767710

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37,40-45,48-52H,3-12,14,16-17,19,21-36H2,1-2H3,(H,53,54)/b15-13-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
C45H83O13P863.10651100
113377918

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(47)57-37(35-55-38(46)33-31-29-27-25-23-14-12-10-8-6-4-2)36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52/h11,13,16-17,37,40-45,48-52H,3-10,12,14-15,18-36H2,1-2H3,(H,53,54)/b13-11-,17-16-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
113377946

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(47)57-37(35-55-38(46)33-31-29-27-25-23-14-12-10-8-6-4-2)36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52/h10,12,18-19,37,40-45,48-52H,3-9,11,13-17,20-36H2,1-2H3,(H,53,54)/b12-10-,19-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
113378008

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,37,40-45,48-52H,3-10,12,14-16,19-36H2,1-2H3,(H,53,54)/b13-11-,18-17-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
113378028

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16-18,37,40-45,48-52H,3-13,15,19-36H2,1-2H3,(H,53,54)/b16-14-,18-17-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
113378076

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h16,18-20,37,40-45,48-52H,3-15,17,21-36H2,1-2H3,(H,53,54)/b18-16-,20-19-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
113378105

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39(47)57-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)35-55-38(46)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,37,40-45,48-52H,3-9,11,13-15,17,19-36H2,1-2H3,(H,53,54)/b12-10-,18-16-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
113378272

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,37,40-45,48-52H,3-9,11,13-15,17,19-36H2,1-2H3,(H,53,54)/b12-10-,18-16-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
113378300

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h16,18-20,37,40-45,48-52H,3-15,17,21-36H2,1-2H3,(H,53,54)/b18-16-,20-19-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
113378346

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h14,16-18,37,40-45,48-52H,3-13,15,19-36H2,1-2H3,(H,53,54)/b16-14-,18-17-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
113378375

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)55-35-37(36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52)57-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13,17-18,37,40-45,48-52H,3-10,12,14-16,19-36H2,1-2H3,(H,53,54)/b13-11-,18-17-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
113378539

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H83O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-25-27-29-31-33-38(46)55-35-37(57-39(47)34-32-30-28-26-23-14-12-10-8-6-4-2)36-56-59(53,54)58-45-43(51)41(49)40(48)42(50)44(45)52/h10,12,18-19,37,40-45,48-52H,3-9,11,13-17,20-36H2,1-2H3,(H,53,54)/b12-10-,19-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H83O13P863.10651100
12

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