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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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Single/Multi-component
Isotopically Labeled
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Found 28 results

Search term: C43H84NO7P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24769266

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1
C43H84NO7P758.10336600
24769297

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,35,38,42H,3-13,15,17-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,38-35-/t42-/m1/s1
C43H84NO7P758.10335500
24769330

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,35,38,42H,3-17,19,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b20-18-,38-35-/t42-/m1/s1
C43H84NO7P758.10335500
24768699

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,35,38,42H,3-13,15,17-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,38-35-/t42-/m1/s1
C43H84NO7P758.10335500
24768700

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,35,38,42H,3-17,19,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b20-18-,38-35-/t42-/m1/s1
C43H84NO7P758.10335500
24768731

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1
C43H84NO7P758.10335500
24768987

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1
C43H84NO7P758.10335500
24769242

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17-,38-35-/t42-/m1/s1
C43H84NO7P758.10335500
34449017

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44)51-43(45)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h12,14,18,22,42H,3-11,13,15-17,19-21,23-41,44H2,1-2H3,(H,46,47)/b14-12-,22-18-/t42-/m1/s1
C43H84NO7P758.10334500
21164851

Charge

Double-bond stereo
InChI=1/C42H80NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h19-22H,5-18,23-40H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1/b21-19-,22-20-;
C43H84NO7P758.10333200
24608477

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h29-32,42H,3-28,33-41,44H2,1-2H3,(H,46,47)/b31-29-,32-30-
C43H84NO7P758.10331300
59698817

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,35,38,42H,3-13,15,17-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14+,38-35+/t42-/m1/s1
C43H84NO7P758.10331100
59698818

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,35,38,42H,3-17,19,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b20-18+,38-35+/t42-/m1/s1
C43H84NO7P758.10331100
59698849

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17+,38-35+/t42-/m1/s1
C43H84NO7P758.10331100
59699104

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17+,38-35+/t42-/m1/s1
C43H84NO7P758.10331100
59699736

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17+,38-35+/t42-/m1/s1
C43H84NO7P758.10331100
59699756

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h17,19,35,38,42H,3-16,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b19-17+,38-35+/t42-/m1/s1
C43H84NO7P758.10331100
59699783

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,35,38,42H,3-13,15,17-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14+,38-35+/t42-/m1/s1
C43H84NO7P758.10331100
59699811

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20,35,38,42H,3-17,19,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b20-18+,38-35+/t42-/m1/s1
C43H84NO7P758.10331100
29273203

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44)51-43(45)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h24,26,30,32,42H,3-23,25,27-29,31,33-41,44H2,1-2H3,(H,46,47)/b26-24-,32-30-
C43H84NO7P758.10331600
12

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