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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: C43H76NO10P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446620

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23,27,29,39-40H,3-10,12,14-16,18,20,22,24-26,28,30-38,44H2,1-2H3,(H,47,48)(H,49,50)/b13-11-,19-17-,23-21-,29-27-/t39-,40+/m1/s1
C43H76NO10P798.0380009999985600
74875781

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,39-40H,3-10,12,14-16,19,22,24,26-38,44H2,1-2H3,(H,47,48)(H,49,50)/b13-11-,18-17-,21-20-,25-23-/t39-,40+/m1/s1
C43H76NO10P798.0384400
74876233

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(45)51-36-39(37-52-55(49,50)53-38-40(44)43(47)48)54-42(46)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,23,25,39-40H,3-10,12,14-16,19,22,24,26-38,44H2,1-2H3,(H,47,48)(H,49,50)/b13-11-,18-17-,21-20-,25-23-/t39-,40+/m1/s1
C43H76NO10P798.0384400
113376226

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h11,13,16-19,21,23,39-40H,3-10,12,14-15,20,22,24-38,44H2,1-2H3,(H,47,48)(H,49,50)/b13-11-,18-16-,19-17-,23-21-/t39-,40+/m1/s1
C43H76NO10P798.0381100
113376255

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h10-13,16-19,39-40H,3-9,14-15,20-38,44H2,1-2H3,(H,47,48)(H,49,50)/b12-10-,13-11-,18-16-,19-17-/t39-,40+/m1/s1
C43H76NO10P798.0381100
113376300

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18-21,24,26,39-40H,3-11,13,15-17,22-23,25,27-38,44H2,1-2H3,(H,47,48)(H,49,50)/b14-12-,20-18-,21-19-,26-24-/t39-,40+/m1/s1
C43H76NO10P798.0381100
113376310

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18-21,39-40H,3-5,7,9-11,13,15-17,22-38,44H2,1-2H3,(H,47,48)(H,49,50)/b8-6-,14-12-,20-18-,21-19-/t39-,40+/m1/s1
C43H76NO10P798.0381100
113376319

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,39-40H,3-5,7,9-11,13,15-17,19,21-23,25,27-38,44H2,1-2H3,(H,47,48)(H,49,50)/b8-6-,14-12-,20-18-,26-24-/t39-,40+/m1/s1
C43H76NO10P798.0381100
113376331

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(45)51-36-39(37-52-55(49,50)53-38-40(44)43(47)48)54-42(46)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,25,27,39-40H,3-5,7,9-11,13,15-17,19,21-24,26,28-38,44H2,1-2H3,(H,47,48)(H,49,50)/b8-6-,14-12-,20-18-,27-25-/t39-,40+/m1/s1
C43H76NO10P798.0381100
113376359

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(45)51-36-39(37-52-55(49,50)53-38-40(44)43(47)48)54-42(46)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h12,14,18-21,25,27,39-40H,3-11,13,15-17,22-24,26,28-38,44H2,1-2H3,(H,47,48)(H,49,50)/b14-12-,20-18-,21-19-,27-25-/t39-,40+/m1/s1
C43H76NO10P798.0381100
113376360

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(45)51-36-39(37-52-55(49,50)53-38-40(44)43(47)48)54-42(46)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18-21,39-40H,3-5,7,9-11,13,15-17,22-38,44H2,1-2H3,(H,47,48)(H,49,50)/b8-6-,14-12-,20-18-,21-19-/t39-,40+/m1/s1
C43H76NO10P798.0381100
113376398

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-41(45)51-36-39(37-52-55(49,50)53-38-40(44)43(47)48)54-42(46)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h10-13,16-19,39-40H,3-9,14-15,20-38,44H2,1-2H3,(H,47,48)(H,49,50)/b12-10-,13-11-,18-16-,19-17-/t39-,40+/m1/s1
C43H76NO10P798.0381100
113376407

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-41(45)51-36-39(37-52-55(49,50)53-38-40(44)43(47)48)54-42(46)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h11,13,16-19,21,23,39-40H,3-10,12,14-15,20,22,24-38,44H2,1-2H3,(H,47,48)(H,49,50)/b13-11-,18-16-,19-17-,23-21-/t39-,40+/m1/s1
C43H76NO10P798.0381100
113376416

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-41(45)51-36-39(37-52-55(49,50)53-38-40(44)43(47)48)54-42(46)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h11,13,17,19,21,23,26,28,39-40H,3-10,12,14-16,18,20,22,24-25,27,29-38,44H2,1-2H3,(H,47,48)(H,49,50)/b13-11-,19-17-,23-21-,28-26-/t39-,40+/m1/s1
C43H76NO10P798.0381100
117217591

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-27-33-42(47)51-37-41(38-53-55(49,50)52-36-35-44)54-43(48)34-28-32-40(46)31-26-23-22-25-30-39(45)29-24-20-10-8-6-4-2/h12-13,20,22-26,30-31,39-41,45-46H,3-11,14-19,21,27-29,32-38,44H2,1-2H3,(H,49,50)/b13-12-,23-22+,24-20-,30-25+,31-26-/t39-,40-,41+/m0/s1
C43H76NO10P798.0381100
117217592

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-27-33-43(48)54-41(38-53-55(49,50)52-36-35-44)37-51-42(47)34-28-32-40(46)31-26-23-22-25-30-39(45)29-24-20-10-8-6-4-2/h12-13,20,22-26,30-31,39-41,45-46H,3-11,14-19,21,27-29,32-38,44H2,1-2H3,(H,49,50)/b13-12-,23-22+,24-20-,30-25+,31-26-/t39-,40-,41-/m1/s1
C43H76NO10P798.0381100
117217625

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C43H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23-27-33-42(47)51-37-41(38-53-55(49,50)52-36-35-44)54-43(48)34-28-32-40(46)31-26-22-19-17-18-21-25-30-39(45)29-24-6-4-2/h10-11,18-19,21-22,25-26,30-31,39-41,45-46H,3-9,12-17,20,23-24,27-29,32-38,44H2,1-2H3,(H,49,50)/b11-10-,21-18-,22-19-,30-25+,31-26+/t39-,40-,41-/m1/s1
C43H76NO10P798.0381100
128426137

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C43H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-27-42(47)51-35-39(36-53-55(49,50)52-34-33-44)54-43(48)28-24-20-19-22-25-37-29-32-41(46)40(37)31-30-38(45)26-21-6-4-2/h19,22,29-32,37-40,45H,3-18,20-21,23-28,33-36,44H2,1-2H3,(H,49,50)/b22-19-,31-30+/t37-,38-,39+,40+/m0/s1
C43H76NO10P798.0381100
128426138

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C43H76NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-24-28-43(48)54-39(36-53-55(49,50)52-34-33-44)35-51-42(47)27-23-20-19-22-25-37-29-32-41(46)40(37)31-30-38(45)26-21-6-4-2/h19,22,29-32,37-40,45H,3-18,20-21,23-28,33-36,44H2,1-2H3,(H,49,50)/b22-19-,31-30+/t37-,38-,39+,40+/m0/s1
C43H76NO10P798.0381100
29273224

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C43H76NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h13,15,19-20,23,25,29,31,39-40H,3-12,14,16-18,21-22,24,26-28,30,32-38,44H2,1-2H3,(H,47,48)(H,49,50)/b15-13-,20-19-,25-23-,31-29-
C43H76NO10P798.0381300
123

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