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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 84 results

Search term: C45H82NO8P (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768484

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,43H,3-10,12,14-16,18,20,23-25,27,29-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,28-26-/t43-/m1/s1
C45H82NO8P796.1082161700
24768570

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,43H,3-10,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,23-18-/t43-/m1/s1
C45H82NO8P796.10827700
24768717

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,24,26,43H,3-11,13,15-16,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-,26-24-/t43-/m1/s1
C45H82NO8P796.10827700
24768748

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,43H,3-10,15-16,21-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,20-18-/t43-/m1/s1
C45H82NO8P796.10827700
24768666

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,27,29,43H,3-5,7,9-11,13,15-17,19-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-,29-27-/t43-/m1/s1
C45H82NO8P796.10827700
24768688

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32,43H,3-11,13,15-17,19,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b14-12-,20-18-,26-24-,32-30-/t43-/m1/s1
C45H82NO8P796.10827700
24768813

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,43H,3-10,12,14-16,21-22,24,26-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-,25-23-/t43-/m1/s1
C45H82NO8P796.10827700
24768845

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,29,31,43H,3-10,12,14-16,18,20-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,25-23-,31-29-/t43-/m1/s1
C45H82NO8P796.10827700
24768940

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,23,28,30,43H,3-5,7,9-11,13,15-17,19-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-,30-28-/t43-/m1/s1
C45H82NO8P796.10827700
24768999

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,23,43H,3-10,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,14-12-,19-17-,23-18-/t43-/m1/s1
C45H82NO8P796.10827700
24769029

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,25,27,43H,3-10,12,14-16,18,20,23-24,26,28-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,27-25-/t43-/m1/s1
C45H82NO8P796.10827700
24822197

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3,4)5)41-51-44(47)37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h14,16,20,22,24,26,30,32,43H,6-13,15,17-19,21,23,25,27-29,31,33-42H2,1-5H3/b16-14-,22-20-,26-24-,32-30-/t43-/m1/s1
C45H82NO8P796.10826600
24767286

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h14,16,20-21,23-24,26,28,43H,6-13,15,17-19,22,25,27,29-42H2,1-5H3/b16-14-,21-20-,24-23-,28-26-/t43-/m1/s1
C45H82NO8P796.10826600
24768967

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,28,30,43H,3-11,13,15-16,20-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-,30-28-/t43-/m1/s1
C45H82NO8P796.10826600
24768968

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,23,43H,3-5,7,9-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,19-17-,23-18-/t43-/m1/s1
C45H82NO8P796.10826600
24768878

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,43H,3-4,6,8-10,12,14-16,18,20-22,24,26-42,46H2,1-2H3,(H,49,50)/b7-5-,13-11-,19-17-,25-23-/t43-/m1/s1
C45H82NO8P796.10826600
24768689

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,43H,3-5,7,9-11,13,15-17,19,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,20-18-,26-24-/t43-/m1/s1
C45H82NO8P796.10826600
24768716

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,24,26,30,32,43H,3-16,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b19-17-,20-18-,26-24-,32-30-/t43-/m1/s1
C45H82NO8P796.10826600
24768780

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,23,25,29,31,43H,3-16,21-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b19-17-,20-18-,25-23-,31-29-/t43-/m1/s1
C45H82NO8P796.10826600
24768602

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H82NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h12,14,17-19,23,27,29,43H,3-11,13,15-16,20-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-,29-27-/t43-/m1/s1
C45H82NO8P796.10826600
12345

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