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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: C44H79O10P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768109

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41-42,45-46H,3-10,12,14-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,24-22-,30-28-/t41-,42+/m0/s1
C44H79O10P799.0658101100
24768138

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,41-42,45-46H,3-10,12,14-16,20,23,25-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,21-18-,24-22-/t41-,42+/m0/s1
C44H79O10P799.06588800
24768080

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,41-42,45-46H,3-10,12,14-16,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b13-11-,18-17-,21-20-,26-24-/t41-,42+/m0/s1
C44H79O10P799.06588800
24768122

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,41-42,45-46H,3-13,15,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b16-14-,19-17-,24-22-,30-28-/t41-,42+/m0/s1
C44H79O10P799.06587700
24768123

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,41-42,45-46H,3-10,12,15,18,20-21,23,25-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,24-22-/t41-,42+/m0/s1
C44H79O10P799.06587700
24768137

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,41-42,45-46H,3-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b19-17-,21-18-,24-22-,30-28-/t41-,42+/m0/s1
C44H79O10P799.06587700
74878289

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-43(47)51-39-42(40-53-55(49,50)52-38-41(46)37-45)54-44(48)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21,41-42,45-46H,3-10,15-16,20,22-40H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,21-18-/t41-,42+/m0/s1
C44H79O10P799.06584400
74878319

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-43(47)51-39-42(40-53-55(49,50)52-38-41(46)37-45)54-44(48)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22-23,27,29,41-42,45-46H,3-10,12,14-16,18,20-21,24-26,28,30-40H2,1-2H3,(H,49,50)/b13-11-,19-17-,23-22-,29-27-/t41-,42+/m0/s1
C44H79O10P799.06584400
117221111

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-30-36-43(47)52-38-42(39-53-55(49,50)51)54-44(48)37-31-35-41(46)34-29-26-25-28-33-40(45)32-27-23-10-8-6-4-2/h23,25-29,33-34,40-42,45-46H,3-22,24,30-32,35-39H2,1-2H3,(H2,49,50,51)/b26-25+,27-23-,33-28+,34-29-/t40-,41-,42+/m0/s1
C44H79O10P799.06581100
117221112

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-30-36-44(48)54-42(39-53-55(49,50)51)38-52-43(47)37-31-35-41(46)34-29-26-25-28-33-40(45)32-27-23-10-8-6-4-2/h23,25-29,33-34,40-42,45-46H,3-22,24,30-32,35-39H2,1-2H3,(H2,49,50,51)/b26-25+,27-23-,33-28+,34-29-/t40-,41-,42-/m1/s1
C44H79O10P799.06581100
117221145

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C44H79O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30-36-43(47)52-38-42(39-53-55(49,50)51)54-44(48)37-31-35-41(46)34-29-25-22-20-21-24-28-33-40(45)32-27-6-4-2/h21-22,24-25,28-29,33-34,40-42,45-46H,3-20,23,26-27,30-32,35-39H2,1-2H3,(H2,49,50,51)/b24-21-,25-22-,33-28+,34-29+/t40-,41-,42-/m1/s1
C44H79O10P799.06581100
117221146

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C44H79O10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30-36-44(48)54-42(39-53-55(49,50)51)38-52-43(47)37-31-35-41(46)34-29-25-22-20-21-24-28-33-40(45)32-27-6-4-2/h21-22,24-25,28-29,33-34,40-42,45-46H,3-20,23,26-27,30-32,35-39H2,1-2H3,(H2,49,50,51)/b24-21-,25-22-,33-28+,34-29+/t40-,41-,42+/m0/s1
C44H79O10P799.06581100
117221147

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-36-43(47)52-38-40(39-53-55(49,50)51)54-44(48)37-33-35-42(46)41(45)34-31-29-27-25-23-16-14-12-10-8-6-4-2/h6,8,12,14,23,25,29,31,40-42,45-46H,3-5,7,9-11,13,15-22,24,26-28,30,32-39H2,1-2H3,(H2,49,50,51)/b8-6-,14-12-,25-23-,31-29-/t40-,41-,42-/m1/s1
C44H79O10P799.06581100
29273236

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,19-20,24,26,30,32,41-42,45-46H,3-12,14,16-18,21-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b15-13-,20-19-,26-24-,32-30-
C44H79O10P799.06581300
59699490

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,41-42,45-46H,3-10,12,14-16,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b13-11+,18-17+,21-20+,26-24+/t41-,42+/m0/s1
C44H79O10P799.06581100
59699514

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41-42,45-46H,3-10,12,14-16,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11+,19-17+,24-22+,30-28+/t41-,42+/m0/s1
C44H79O10P799.06581100
59699526

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,22,24,28,30,41-42,45-46H,3-13,15,18,20-21,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b16-14+,19-17+,24-22+,30-28+/t41-,42+/m0/s1
C44H79O10P799.06581100
59699527

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,41-42,45-46H,3-10,12,15,18,20-21,23,25-40H2,1-2H3,(H,49,50)/b13-11+,16-14+,19-17+,24-22+/t41-,42+/m0/s1
C44H79O10P799.06581100
59699537

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17-19,21-22,24,28,30,41-42,45-46H,3-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b19-17+,21-18+,24-22+,30-28-/t41-,42+/m0/s1
C44H79O10P799.06581100
59699538

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,41-42,45-46H,3-10,12,14-16,20,23,25-40H2,1-2H3,(H,49,50)/b13-11+,19-17+,21-18+,24-22+/t41-,42+/m0/s1
C44H79O10P799.06581100
123

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