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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 29 results

Search term: C42H72NO8P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24766594

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,27,29,40H,6-7,9,11-12,17-18,21,24-26,28,30-39H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,29-27-/t40-/m1/s1
C42H72NO8P749.99676600
24767154

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,26,28,40H,6-7,9,11-12,17-18,21,24-25,27,29-39H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,28-26-/t40-/m1/s1
C42H72NO8P749.99676600
24768415

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,40H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-/t40-/m1/s1
C42H72NO8P749.99676600
24769125

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,28,30,40H,3-4,6,8-10,12,14-16,19,22,24,26-27,29,31-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-,30-28-/t40-/m1/s1
C42H72NO8P749.99676600
74849869

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43-3)38-48-41(44)34-32-30-28-26-24-15-13-11-9-7-5-2/h6,8,12,14,17-18,20-21,23,25,29,31,40,43H,4-5,7,9-11,13,15-16,19,22,24,26-28,30,32-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,18-17-,21-20-,25-23-,31-29-
C42H72NO8P749.99673300
74849886

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43-3)38-48-41(44)34-32-30-28-26-24-15-13-11-9-7-5-2/h11-14,17-18,20-21,23,25,29,31,40,43H,4-10,15-16,19,22,24,26-28,30,32-39H2,1-3H3,(H,46,47)/b13-11-,14-12-,18-17-,21-20-,25-23-,31-29-
C42H72NO8P749.99673300
74849887

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43-3)38-48-41(44)34-32-30-28-26-24-15-13-11-9-7-5-2/h6,8,11-14,17-18,20-21,23,25,40,43H,4-5,7,9-10,15-16,19,22,24,26-39H2,1-3H3,(H,46,47)/b8-6-,13-11-,14-12-,18-17-,21-20-,25-23-
C42H72NO8P749.99673300
74849947

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43-3)38-48-41(44)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2/h6,8,12,14-15,17-19,21,23,27,29,40,43H,4-5,7,9-11,13,16,20,22,24-26,28,30-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,17-15-,19-18-,23-21-,29-27-
C42H72NO8P749.99673300
74850047

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h7,9,12-15,18-21,25,27,40,43H,4-6,8,10-11,16-17,22-24,26,28-39H2,1-3H3,(H,46,47)/b9-7-,14-12-,15-13-,20-18-,21-19-,27-25-
C42H72NO8P749.99673300
74850073

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h12-15,18-21,24-27,40,43H,4-11,16-17,22-23,28-39H2,1-3H3,(H,46,47)/b14-12-,15-13-,20-18-,21-19-,26-24-,27-25-
C42H72NO8P749.99673300
74850074

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h7,9,12-15,18-21,24,26,40,43H,4-6,8,10-11,16-17,22-23,25,27-39H2,1-3H3,(H,46,47)/b9-7-,14-12-,15-13-,20-18-,21-19-,26-24-
C42H72NO8P749.99673300
74850102

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6,8,12-15,18-21,25,27,40,43H,4-5,7,9-11,16-17,22-24,26,28-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,15-13-,20-18-,21-19-,27-25-
C42H72NO8P749.99673300
74850103

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6-9,12-15,18-21,40,43H,4-5,10-11,16-17,22-39H2,1-3H3,(H,46,47)/b8-6-,9-7-,14-12-,15-13-,20-18-,21-19-
C42H72NO8P749.99673300
74850130

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6,8,12-15,18-21,24,26,40,43H,4-5,7,9-11,16-17,22-23,25,27-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,15-13-,20-18-,21-19-,26-24-
C42H72NO8P749.99673300
74850354

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-22-17-15-13-11-9-7-5-2/h6,8,12,14-15,17-19,21,23,26,28,40,43H,4-5,7,9-11,13,16,20,22,24-25,27,29-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,17-15-,19-18-,23-21-,28-26-
C42H72NO8P749.99673300
74850492

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-24-15-13-11-9-7-5-2/h11-14,17-18,20-21,23,25,28,30,40,43H,4-10,15-16,19,22,24,26-27,29,31-39H2,1-3H3,(H,46,47)/b13-11-,14-12-,18-17-,21-20-,25-23-,30-28-
C42H72NO8P749.99673300
74850518

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-24-15-13-11-9-7-5-2/h6,8,11-14,17-18,20-21,23,25,40,43H,4-5,7,9-10,15-16,19,22,24,26-39H2,1-3H3,(H,46,47)/b8-6-,13-11-,14-12-,18-17-,21-20-,25-23-
C42H72NO8P749.99673300
74850544

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H72NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-24-15-13-11-9-7-5-2/h6,8,12,14,17-18,20-21,23,25,28,30,40,43H,4-5,7,9-11,13,15-16,19,22,24,26-27,29,31-39H2,1-3H3,(H,46,47)/b8-6-,14-12-,18-17-,21-20-,25-23-,30-28-
C42H72NO8P749.99673300
24822260

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H72NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-15-13-11-9-7-2/h8,10,14,16,18-19,21-22,24-25,29,31,40H,6-7,9,11-13,15,17,20,23,26-28,30,32-39H2,1-5H3/b10-8-,16-14-,19-18-,22-21-,25-24-,31-29-/t40-/m1/s1
C42H72NO8P749.99672200
59698552

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,40H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-39,43H2,1-2H3,(H,46,47)/b7-5+,13-11-,18-17+,21-20-,25-23+,31-29+/t40-/m1/s1
C42H72NO8P749.99671100
12

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