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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
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Found 62 results

Search term: C46H80NO10P (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768057

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h5,7,11,13,17,19,21-22,26,28,42-43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,28-26-/t42-,43+/m1/s1
C46H80NO10P838.10198800
74875863

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h11,13,17-19,21-23,26,28,42-43H,3-10,12,14-16,20,24-25,27,29-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,22-21-,23-18-,28-26-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74875905

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h11-14,17-19,23,27,29,42-43H,3-10,15-16,20-22,24-26,28,30-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,23-18-,29-27-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74875922

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h6,8,11-14,17-19,23,42-43H,3-5,7,9-10,15-16,20-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,13-11-,14-12-,19-17-,23-18-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74875973

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h6,8,12,14,18,20,24,26,30,32,42-43H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,14-12-,20-18-,26-24-,32-30-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74875999

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h12,14,17-20,24,26,30,32,42-43H,3-11,13,15-16,21-23,25,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b14-12-,19-17-,20-18-,26-24-,32-30-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74876025

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h11-14,17-20,24,26,42-43H,3-10,15-16,21-23,25,27-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,26-24-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74876070

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h11-14,17-20,23,25,42-43H,3-10,15-16,21-22,24,26-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74876084

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h11,13,17-20,23,25,29,31,42-43H,3-10,12,14-16,21-22,24,26-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,20-18-,25-23-,31-29-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74876133

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h5,7,11,13,17,19,23,25,29,31,42-43H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,25-23-,31-29-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74876213

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h11-14,17-19,23,28,30,42-43H,3-10,15-16,20-22,24-27,29,31-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,23-18-,30-28-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74876214

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h6,8,11-14,17-19,23,42-43H,3-5,7,9-10,15-16,20-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,13-11-,14-12-,19-17-,23-18-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74876238

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h11,13,17-19,21-23,25,27,42-43H,3-10,12,14-16,20,24,26,28-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,22-21-,23-18-,27-25-/t42-,43+/m1/s1
C46H80NO10P838.10194400
74876433

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H80NO10P/c1-8-10-21-27-42-38(5)39(6)44(57-42)29-22-17-13-11-12-14-20-25-31-46(49)55-40(35-54-58(50,51)53-33-32-47-7)34-52-45(48)30-24-19-16-15-18-23-28-43-37(4)36(3)41(56-43)26-9-2/h40,47H,8-35H2,1-7H3,(H,50,51)/t40-/m1/s1
C46H80NO10P838.10193300
74876441

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H80NO10P/c1-8-10-21-27-42-38(5)39(6)44(57-42)29-23-18-15-16-19-24-30-45(48)52-34-40(35-54-58(50,51)53-33-32-47-7)55-46(49)31-25-20-14-12-11-13-17-22-28-43-37(4)36(3)41(56-43)26-9-2/h40,47H,8-35H2,1-7H3,(H,50,51)/t40-/m1/s1
C46H80NO10P838.10193300
74876448

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H80NO10P/c1-8-10-20-26-41-36(3)38(5)43(56-41)28-22-16-12-14-18-24-30-45(48)52-34-40(35-54-58(50,51)53-33-32-47-7)55-46(49)31-25-19-15-13-17-23-29-44-39(6)37(4)42(57-44)27-21-11-9-2/h40,47H,8-35H2,1-7H3,(H,50,51)/t40-/m1/s1
C46H80NO10P838.10193300
74876237

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h11,13-14,16-17,19,21-22,25,27,42-43H,3-10,12,15,18,20,23-24,26,28-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,16-14-,19-17-,22-21-,27-25-/t42-,43+/m1/s1
C46H80NO10P838.10193300
74876109

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h5,7,11,13,17-20,23,25,42-43H,3-4,6,8-10,12,14-16,21-22,24,26-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,20-18-,25-23-/t42-,43+/m1/s1
C46H80NO10P838.10193300
74876050

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h12,14,17-20,23,25,29,31,42-43H,3-11,13,15-16,21-22,24,26-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b14-12-,19-17-,20-18-,25-23-,31-29-/t42-,43+/m1/s1
C46H80NO10P838.10193300
74876024

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO10P/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/h11,13,17-20,24,26,30,32,42-43H,3-10,12,14-16,21-23,25,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,20-18-,26-24-,32-30-/t42-,43+/m1/s1
C46H80NO10P838.10193300
1234

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