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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 34 results

Search term: C46H78NO10P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768058

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h5,7,11,13,17,19,21-22,26,28,32,34,42-43H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t42-,43+/m1/s1
C46H78NO10P836.086101100
35032513

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h11-14,17-20,23-26,42-43H,3-10,15-16,21-22,27-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t42-,43+/m1/s1
C46H78NO10P836.0869900
35032531

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h5,7,11,13,17,19,21-22,25,27,31,33,42-43H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t42-,43+/m1/s1
C46H78NO10P836.0869900
74875881

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h11-14,17-19,21-23,26,28,42-43H,3-10,15-16,20,24-25,27,29-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t42-,43+/m1/s1
C46H78NO10P836.0864400
74875948

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h6,8,11-14,17-19,23,27,29,42-43H,3-5,7,9-10,15-16,20-22,24-26,28,30-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,13-11-,14-12-,19-17-,23-18-,29-27-/t42-,43+/m1/s1
C46H78NO10P836.0864400
74876000

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h6,8,12,14,17-20,24,26,30,32,42-43H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t42-,43+/m1/s1
C46H78NO10P836.0864400
74876026

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h11-14,17-20,24,26,30,32,42-43H,3-10,15-16,21-23,25,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,26-24-,32-30-/t42-,43+/m1/s1
C46H78NO10P836.0864400
74876085

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h11-14,17-20,23,25,29,31,42-43H,3-10,15-16,21-22,24,26-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t42-,43+/m1/s1
C46H78NO10P836.0864400
74876134

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h5,7,11,13,17-20,23,25,29,31,42-43H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t42-,43+/m1/s1
C46H78NO10P836.0864400
74876215

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h6,8,11-14,17-19,23,28,30,42-43H,3-5,7,9-10,15-16,20-22,24-27,29,31-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,13-11-,14-12-,19-17-,23-18-,30-28-/t42-,43+/m1/s1
C46H78NO10P836.0864400
74876239

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h11-14,17-19,21-23,25,27,42-43H,3-10,15-16,20,24,26,28-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,22-21-,23-18-,27-25-/t42-,43+/m1/s1
C46H78NO10P836.0864400
74876263

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h11,13-14,16-17,19,21-22,25,27,31,33,42-43H,3-10,12,15,18,20,23-24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,16-14-,19-17-,22-21-,27-25-,33-31-/t42-,43+/m1/s1
C46H78NO10P836.0863300
74876264

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h11,13,17-19,21-23,25,27,31,33,42-43H,3-10,12,14-16,20,24,26,28-30,32,34-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,22-21-,23-18-,27-25-,33-31-/t42-,43+/m1/s1
C46H78NO10P836.0863300
74876288

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h5,7,11,13-14,16-17,19,21-22,25,27,42-43H,3-4,6,8-10,12,15,18,20,23-24,26,28-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,16-14-,19-17-,22-21-,27-25-/t42-,43+/m1/s1
C46H78NO10P836.0863300
74876289

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h5,7,11,13,17-19,21-23,25,27,42-43H,3-4,6,8-10,12,14-16,20,24,26,28-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,22-21-,23-18-,27-25-/t42-,43+/m1/s1
C46H78NO10P836.0863300
74876027

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h6,8,11-14,17-20,24,26,42-43H,3-5,7,9-10,15-16,21-23,25,27-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-/t42-,43+/m1/s1
C46H78NO10P836.0863300
74876051

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h17-20,23-26,29-32,42-43H,3-16,21-22,27-28,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t42-,43+/m1/s1
C46H78NO10P836.0863300
74876052

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h12,14,17-20,23-26,29,31,42-43H,3-11,13,15-16,21-22,27-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b14-12-,19-17-,20-18-,25-23-,26-24-,31-29-/t42-,43+/m1/s1
C46H78NO10P836.0863300
74876071

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h11,13,17-20,23-26,30,32,42-43H,3-10,12,14-16,21-22,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,20-18-,25-23-,26-24-,32-30-/t42-,43+/m1/s1
C46H78NO10P836.0863300
34448967

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H78NO10P/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/h7,9,13,15,19-20,22,24,28,30,34,36,42-43H,3-6,8,10-12,14,16-18,21,23,25-27,29,31-33,35,37-41,47H2,1-2H3,(H,50,51)(H,52,53)/b9-7-,15-13-,20-19-,24-22-,30-28-,36-34-/t42-,43+/m1/s1
C46H78NO10P836.0863400
12

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