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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: C46H82NO10P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34449013

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h11,13,17,19,21-22,26,28,42-43H,3-10,12,14-16,18,20,23-25,27,29-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,22-21-,28-26-/t42-,43+/m1/s1
C46H82NO10P840.11776700
74875880

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h11-14,17-19,23,42-43H,3-10,15-16,20-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,23-18-/t42-,43+/m1/s1
C46H82NO10P840.11774400
74875947

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h6,8,12,14,18,23,27,29,42-43H,3-5,7,9-11,13,15-17,19-22,24-26,28,30-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,14-12-,23-18-,29-27-/t42-,43+/m1/s1
C46H82NO10P840.11774400
74875971

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h12,14,18,20,24,26,30,32,42-43H,3-11,13,15-17,19,21-23,25,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b14-12-,20-18-,26-24-,32-30-/t42-,43+/m1/s1
C46H82NO10P840.11774400
74875998

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h12,14,17-20,24,26,42-43H,3-11,13,15-16,21-23,25,27-41,47H2,1-2H3,(H,50,51)(H,52,53)/b14-12-,19-17-,20-18-,26-24-/t42-,43+/m1/s1
C46H82NO10P840.11774400
74876023

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h11-14,17-20,42-43H,3-10,15-16,21-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,20-18-/t42-,43+/m1/s1
C46H82NO10P840.11774400
74876069

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h11,13,17-20,23,25,42-43H,3-10,12,14-16,21-22,24,26-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,20-18-,25-23-/t42-,43+/m1/s1
C46H82NO10P840.11774400
74876083

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h11,13,17,19,23,25,29,31,42-43H,3-10,12,14-16,18,20-22,24,26-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,25-23-,31-29-/t42-,43+/m1/s1
C46H82NO10P840.11774400
74876161

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h6,8,12,14,18,23,28,30,42-43H,3-5,7,9-11,13,15-17,19-22,24-27,29,31-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,14-12-,23-18-,30-28-/t42-,43+/m1/s1
C46H82NO10P840.11774400
74876212

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h11-14,17-19,23,42-43H,3-10,15-16,20-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,14-12-,19-17-,23-18-/t42-,43+/m1/s1
C46H82NO10P840.11774400
74876236

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h11,13,17,19,21-22,25,27,42-43H,3-10,12,14-16,18,20,23-24,26,28-41,47H2,1-2H3,(H,50,51)(H,52,53)/b13-11-,19-17-,22-21-,27-25-/t42-,43+/m1/s1
C46H82NO10P840.11774400
74876188

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h12,14,17-19,23,28,30,42-43H,3-11,13,15-16,20-22,24-27,29,31-41,47H2,1-2H3,(H,50,51)(H,52,53)/b14-12-,19-17-,23-18-,30-28-/t42-,43+/m1/s1
C46H82NO10P840.11773300
74876189

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h6,8,12,14,17-19,23,42-43H,3-5,7,9-11,13,15-16,20-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,14-12-,19-17-,23-18-/t42-,43+/m1/s1
C46H82NO10P840.11773300
74876108

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h5,7,11,13,17,19,23,25,42-43H,3-4,6,8-10,12,14-16,18,20-22,24,26-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,19-17-,25-23-/t42-,43+/m1/s1
C46H82NO10P840.11773300
74876049

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h17-20,23,25,29,31,42-43H,3-16,21-22,24,26-28,30,32-41,47H2,1-2H3,(H,50,51)(H,52,53)/b19-17-,20-18-,25-23-,31-29-/t42-,43+/m1/s1
C46H82NO10P840.11773300
74875972

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h6,8,12,14,18,20,24,26,42-43H,3-5,7,9-11,13,15-17,19,21-23,25,27-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,14-12-,20-18-,26-24-/t42-,43+/m1/s1
C46H82NO10P840.11773300
74875997

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h17-20,24,26,30,32,42-43H,3-16,21-23,25,27-29,31,33-41,47H2,1-2H3,(H,50,51)(H,52,53)/b19-17-,20-18-,26-24-,32-30-/t42-,43+/m1/s1
C46H82NO10P840.11773300
74875904

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h12,14,17-19,23,27,29,42-43H,3-11,13,15-16,20-22,24-26,28,30-41,47H2,1-2H3,(H,50,51)(H,52,53)/b14-12-,19-17-,23-18-,29-27-/t42-,43+/m1/s1
C46H82NO10P840.11773300
74875921

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H82NO10P/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/h6,8,12,14,17-19,23,42-43H,3-5,7,9-11,13,15-16,20-22,24-41,47H2,1-2H3,(H,50,51)(H,52,53)/b8-6-,14-12-,19-17-,23-18-/t42-,43+/m1/s1
C46H82NO10P840.11773300
29273240

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C46H82NO10P/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/h17,19,21-22,26,28,32,34,42-43H,3-16,18,20,23-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b19-17-,22-21-,28-26-,34-32-
C46H82NO10P840.11771300
12

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