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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 19 results

Search term: C46H88NO10P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
74875860

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h18,23,42-43H,3-17,19-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b23-18-/t42-,43+/m1/s1
C46H88NO10P846.16545500
74876157

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h18,23,42-43H,3-17,19-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b23-18-/t42-,43+/m1/s1
C46H88NO10P846.16545500
74875967

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,42-43H,3-17,19,21-41,47H2,1-2H3,(H,50,51)(H,52,53)/b20-18-/t42-,43+/m1/s1
C46H88NO10P846.16544400
74875994

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,42-43H,3-16,18,20-41,47H2,1-2H3,(H,50,51)(H,52,53)/b19-17-/t42-,43+/m1/s1
C46H88NO10P846.16544400
74876156

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16,42-43H,3-13,15,17-41,47H2,1-2H3,(H,50,51)(H,52,53)/b16-14-/t42-,43+/m1/s1
C46H88NO10P846.16543300
74875800

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,42-43H,3-16,19-41,47H2,1-2H3,(H,50,51)(H,52,53)/b18-17-/t42-,43+/m1/s1
C46H88NO10P846.16543300
74875814

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h14,16,42-43H,3-13,15,17-41,47H2,1-2H3,(H,50,51)(H,52,53)/b16-14-/t42-,43+/m1/s1
C46H88NO10P846.16543300
74875824

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h17,19,42-43H,3-16,18,20-41,47H2,1-2H3,(H,50,51)(H,52,53)/b19-17-/t42-,43+/m1/s1
C46H88NO10P846.16543300
74875843

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h14,16,42-43H,3-13,15,17-41,47H2,1-2H3,(H,50,51)(H,52,53)/b16-14-/t42-,43+/m1/s1
C46H88NO10P846.16543300
74876184

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h17,19,42-43H,3-16,18,20-41,47H2,1-2H3,(H,50,51)(H,52,53)/b19-17-/t42-,43+/m1/s1
C46H88NO10P846.16543300
74876328

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h14,16,42-43H,3-13,15,17-41,47H2,1-2H3,(H,50,51)(H,52,53)/b16-14-/t42-,43+/m1/s1
C46H88NO10P846.16543300
74876356

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-25-16-14-12-10-8-6-4-2/h17-18,42-43H,3-16,19-41,47H2,1-2H3,(H,50,51)(H,52,53)/b18-17-/t42-,43+/m1/s1
C46H88NO10P846.16543300
107450913

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h20-21,42-43H,3-19,22-41,47H2,1-2H3,(H,50,51)(H,52,53)/b21-20-/t42-,43+/m1/s1
C46H88NO10P846.16542200
113376370

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h20,23,42-43H,3-19,21-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b23-20-/t42-,43+/m1/s1
C46H88NO10P846.16541100
113376447

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h20,23,42-43H,3-19,21-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b23-20-/t42-,43+/m1/s1
C46H88NO10P846.16541100
113376477

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(48)54-39-42(40-55-58(52,53)56-41-43(47)46(50)51)57-45(49)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h20-21,42-43H,3-19,22-41,47H2,1-2H3,(H,50,51)(H,52,53)/b21-20-/t42-,43+/m1/s1
C46H88NO10P846.16541100
128425910

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C46H88NO10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-24-28-35-54-38-41(39-56-58(52,53)55-36-34-47(3,4)5)57-46(51)31-27-23-22-26-30-42-43(45(50)37-44(42)49)33-32-40(48)29-25-9-7-2/h28,32-33,35,40-45,48-50H,6-27,29-31,34,36-39H2,1-5H3/b33-32+,35-28u/t40-,41+,42+,43+,44-,45+/m0/s1
C46H88NO10P846.16541100
128425911

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C46H88NO10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-24-28-35-54-41(39-57-58(52,53)56-36-34-47(3,4)5)38-55-46(51)31-27-23-22-26-30-42-43(45(50)37-44(42)49)33-32-40(48)29-25-9-7-2/h28,32-33,35,40-45,48-50H,6-27,29-31,34,36-39H2,1-5H3/b33-32+,35-28u/t40-,41+,42+,43+,44-,45+/m0/s1
C46H88NO10P846.16541100
29273245

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C46H88NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h31,33,42-43H,3-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b33-31-
C46H88NO10P846.16541300

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