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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 26 results

Search term: C45H81O13P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24608345

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C45H81O13P/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/h18-19,22,24,28,30,37,40-45,48-52H,3-17,20-21,23,25-27,29,31-36H2,1-2H3,(H,53,54)/b19-18-,24-22-,30-28-/t37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061600
24608358

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C45H81O13P/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/h22,24,27-30,37,40-45,48-52H,3-21,23,25-26,31-36H2,1-2H3,(H,53,54)/b24-22-,29-27-,30-28-/t37?,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061300
24767672

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C45H81O13P/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/h17-18,20,22,26,28,37,40-45,48-52H,3-16,19,21,23-25,27,29-36H2,1-2H3,(H,53,54)/b18-17-,22-20-,28-26-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
C45H81O13P861.09061100
24767695

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C45H81O13P/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/h12,14,18,20,24,26,37,40-45,48-52H,3-11,13,15-17,19,21-23,25,27-36H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
C45H81O13P861.09061100
24767696

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C45H81O13P/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/h6,8,12,14,18,20,37,40-45,48-52H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
C45H81O13P861.09061100
24767711

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C45H81O13P/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/h12-15,18,20,37,40-45,48-52H,3-11,16-17,19,21-36H2,1-2H3,(H,53,54)/b14-12-,15-13-,20-18-/t37-,40?,41-,42?,43?,44?,45-/m1/s1
C45H81O13P861.09061100
113377947

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h10-13,16-17,37,40-45,48-52H,3-9,14-15,18-36H2,1-2H3,(H,53,54)/b12-10-,13-11-,17-16-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378029

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h11,13-14,16-18,37,40-45,48-52H,3-10,12,15,19-36H2,1-2H3,(H,53,54)/b13-11-,16-14-,18-17-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378106

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h10,12,16,18-20,37,40-45,48-52H,3-9,11,13-15,17,21-36H2,1-2H3,(H,53,54)/b12-10-,18-16-,20-19-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378126

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h12,14,18,20,24,26,37,40-45,48-52H,3-11,13,15-17,19,21-23,25,27-36H2,1-2H3,(H,53,54)/b14-12-,20-18-,26-24-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378127

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h6,8,12,14,18,20,37,40-45,48-52H,3-5,7,9-11,13,15-17,19,21-36H2,1-2H3,(H,53,54)/b8-6-,14-12-,20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378161

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h11,13,17-20,37,40-45,48-52H,3-10,12,14-16,21-36H2,1-2H3,(H,53,54)/b13-11-,19-17-,20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378188

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h11,13,17,19,23,25,37,40-45,48-52H,3-10,12,14-16,18,20-22,24,26-36H2,1-2H3,(H,53,54)/b13-11-,19-17-,25-23-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378218

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h5,7,11,13,17,19,37,40-45,48-52H,3-4,6,8-10,12,14-16,18,20-36H2,1-2H3,(H,53,54)/b7-5-,13-11-,19-17-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378301

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h10,12,16,18-20,37,40-45,48-52H,3-9,11,13-15,17,21-36H2,1-2H3,(H,53,54)/b12-10-,18-16-,20-19-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378376

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h11,13-14,16-18,37,40-45,48-52H,3-10,12,15,19-36H2,1-2H3,(H,53,54)/b13-11-,16-14-,18-17-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378406

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h11,13,17-18,20,22,37,40-45,48-52H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,53,54)/b13-11-,18-17-,22-20-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378570

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h10-13,16-17,37,40-45,48-52H,3-9,14-15,18-36H2,1-2H3,(H,53,54)/b12-10-,13-11-,17-16-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378714

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h11,13,17-18,20,22,37,40-45,48-52H,3-10,12,14-16,19,21,23-36H2,1-2H3,(H,53,54)/b13-11-,18-17-,22-20-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
113378767

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C45H81O13P/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/h12,14,17-20,37,40-45,48-52H,3-11,13,15-16,21-36H2,1-2H3,(H,53,54)/b14-12-,19-17-,20-18-/t37-,40-,41-,42+,43-,44-,45-/m1/s1
C45H81O13P861.09061100
12

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