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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 23 results

Search term: C39H78NO7P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24769256

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
C39H78NO7P704.01297800
24769220

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,38H,3-16,18,20-37,40H2,1-2H3,(H,42,43)/b19-17-/t38-/m1/s1
C39H78NO7P704.01297600
24769226

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
C39H78NO7P704.01295500
24767481

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h31,34,38H,6-30,32-33,35-37H2,1-5H3/b34-31-/t38-/m1/s1
C39H78NO7P704.01295500
24768437

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
C39H78NO7P704.01294400
24768488

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)45-36-38(37-47-48(42,43)46-35-33-40)44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
C39H78NO7P704.01294400
24766636

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40(3,4)5)36-45-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h31,34,38H,6-30,32-33,35-37H2,1-5H3/b34-31-
C39H78NO7P704.01294400
64808518

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-45-36-38(41)37-47-48(43,44)46-35-33-40-39(42)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38,41H,3-30,32-33,35-37H2,1-2H3,(H,40,42)(H,43,44)/b34-31-/t38-/m1/s1
C39H78NO7P704.01292300
113375306

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h15,17,38H,6-14,16,18-37H2,1-5H3/b17-15-/t38-/m1/s1
C39H78NO7P704.01291100
113375360

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-17-15-13-11-9-7-2/h31,34,38H,6-30,32-33,35-37H2,1-5H3/b34-31-/t38-/m1/s1
C39H78NO7P704.01291100
113375943

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-14-12-10-8-6-4-2/h10,12,38H,3-9,11,13-37,40H2,1-2H3,(H,42,43)/b12-10-/t38-/m1/s1
C39H78NO7P704.01291100
113375971

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16,38H,3-13,15,17-37,40H2,1-2H3,(H,42,43)/b16-14-/t38-/m1/s1
C39H78NO7P704.01291100
113376006

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31-/t38-/m1/s1
C39H78NO7P704.01291100
24608454

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31+
C39H78NO7P704.01291300
24608469

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h26,28,38H,3-25,27,29-37,40H2,1-2H3,(H,42,43)/b28-26-
C39H78NO7P704.01291300
59698575

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-38(37-47-48(42,43)46-35-33-40)36-45-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31+/t38-/m1/s1
C39H78NO7P704.01291100
59699599

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,38H,3-16,18,20-37,40H2,1-2H3,(H,42,43)/b19-17+/t38-/m1/s1
C39H78NO7P704.01291100
59699605

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40(3,4)5)47-39(41)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h31,34,38H,6-30,32-33,35-37H2,1-5H3/b34-31+/t38-/m1/s1
C39H78NO7P704.01291100
59699721

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31+/t38-/m1/s1
C39H78NO7P704.01291100
59699746

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C39H78NO7P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-44-36-38(37-46-48(42,43)45-35-33-40)47-39(41)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h31,34,38H,3-30,32-33,35-37,40H2,1-2H3,(H,42,43)/b34-31+/t38-/m1/s1
C39H78NO7P704.01291100
12

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