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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
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Isotopically Labeled
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Found 12 results

Search term: C42H76NO11P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
128425214

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-22-26-41(47)51-33-36(34-53-55(49,50)52-31-30-43(3,4)5)54-42(48)27-23-19-18-21-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h18,21,28-29,35-38,40,44,46H,6-17,19-20,22-27,30-34H2,1-5H3/b21-18-,29-28+/t35-,36+,37+,38+,40+/m0/s1
C42H76NO11P802.02671100
128425215

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-23-27-42(48)54-36(34-53-55(49,50)52-31-30-43(3,4)5)33-51-41(47)26-22-19-18-21-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h18,21,28-29,35-38,40,44,46H,6-17,19-20,22-27,30-34H2,1-5H3/b21-18-,29-28+/t35-,36+,37+,38+,40+/m0/s1
C42H76NO11P802.02671100
128425216

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-22-26-41(47)51-33-36(34-53-55(49,50)52-31-30-43(3,4)5)54-42(48)27-23-19-18-21-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h18,21,28-29,35-39,44-45H,6-17,19-20,22-27,30-34H2,1-5H3/b21-18-,29-28+/t35-,36+,37+,38+,39-/m0/s1
C42H76NO11P802.02671100
128425217

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-23-27-42(48)54-36(34-53-55(49,50)52-31-30-43(3,4)5)33-51-41(47)26-22-19-18-21-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h18,21,28-29,35-39,44-45H,6-17,19-20,22-27,30-34H2,1-5H3/b21-18-,29-28+/t35-,36+,37+,38+,39-/m0/s1
C42H76NO11P802.02671100
128425238

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-22-26-41(47)51-33-36(34-53-55(49,50)52-31-30-43(3,4)5)54-42(48)27-23-19-18-21-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h11-12,18,21,28-29,35-40,44-46H,6-10,13-17,19-20,22-27,30-34H2,1-5H3/b12-11-,21-18+,29-28+/t35-,36+,37+,38+,39-,40+/m0/s1
C42H76NO11P802.02671100
128425239

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-23-27-42(48)54-36(34-53-55(49,50)52-31-30-43(3,4)5)33-51-41(47)26-22-19-18-21-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h11-12,18,21,28-29,35-40,44-46H,6-10,13-17,19-20,22-27,30-34H2,1-5H3/b12-11-,21-18+,29-28+/t35-,36+,37+,38+,39-,40+/m0/s1
C42H76NO11P802.02671100
128425244

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-22-26-41(47)51-33-36(34-53-55(49,50)52-31-30-43(3,4)5)54-42(48)27-23-19-18-21-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h11-12,28-29,35-38,40,44,46H,6-10,13-27,30-34H2,1-5H3/b12-11-,29-28+/t35-,36+,37+,38+,40+/m0/s1
C42H76NO11P802.02671100
128425245

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-23-27-42(48)54-36(34-53-55(49,50)52-31-30-43(3,4)5)33-51-41(47)26-22-19-18-21-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h11-12,28-29,35-38,40,44,46H,6-10,13-27,30-34H2,1-5H3/b12-11-,29-28+/t35-,36+,37+,38+,40+/m0/s1
C42H76NO11P802.02671100
128425246

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-22-26-41(47)51-33-36(34-53-55(49,50)52-31-30-43(3,4)5)54-42(48)27-23-19-18-21-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h11-12,28-29,35-39,44-45H,6-10,13-27,30-34H2,1-5H3/b12-11-,29-28+/t35-,36+,37+,38+,39-/m0/s1
C42H76NO11P802.02671100
128425247

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-23-27-42(48)54-36(34-53-55(49,50)52-31-30-43(3,4)5)33-51-41(47)26-22-19-18-21-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h11-12,28-29,35-39,44-45H,6-10,13-27,30-34H2,1-5H3/b12-11-,29-28+/t35-,36+,37+,38+,39-/m0/s1
C42H76NO11P802.02671100
128425295

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-26-41(47)51-33-36(34-53-55(49,50)52-31-30-43(3,4)5)54-42(48)27-23-22-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h13-14,22-23,28-29,35-40,44-46H,6-12,15-21,24-27,30-34H2,1-5H3/b14-13-,23-22-,29-28+/t35-,36-,37+,38-,39+,40-/m1/s1
C42H76NO11P802.02671100
128425296

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C42H76NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-27-42(48)54-36(34-53-55(49,50)52-31-30-43(3,4)5)33-51-41(47)26-23-22-25-37-38(40(46)32-39(37)45)29-28-35(44)24-20-9-7-2/h13-14,22-23,28-29,35-40,44-46H,6-12,15-21,24-27,30-34H2,1-5H3/b14-13-,23-22-,29-28+/t35-,36-,37+,38-,39+,40-/m1/s1
C42H76NO11P802.02671100

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