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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 71 results

Search term: C45H84NO8P (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768513

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h11,13-14,16-17,19,43H,3-10,12,15,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-/t43-/m1/s1
C45H84NO8P798.12417800
24768939

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h6,8,12,14,18,23,43H,3-5,7,9-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-/t43-/m1/s1
C45H84NO8P798.12417700
24768812

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h11,13,17,19,23,25,43H,3-10,12,14-16,18,20-22,24,26-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,25-23-/t43-/m1/s1
C45H84NO8P798.12416600
24768938

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h12,14,18,23,28,30,43H,3-11,13,15-17,19-22,24-27,29,31-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-,30-28-/t43-/m1/s1
C45H84NO8P798.12416600
24768998

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h11,13,17-19,23,43H,3-10,12,14-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,23-18-/t43-/m1/s1
C45H84NO8P798.12416600
24768538

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h11,13,17-19,23,43H,3-10,12,14-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,23-18-/t43-/m1/s1
C45H84NO8P798.12416600
24768601

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h12,14,18,23,27,29,43H,3-11,13,15-17,19-22,24-26,28,30-42,46H2,1-2H3,(H,49,50)/b14-12-,23-18-,29-27-/t43-/m1/s1
C45H84NO8P798.12416600
24768633

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h6,8,12,14,18,23,43H,3-5,7,9-11,13,15-17,19-22,24-42,46H2,1-2H3,(H,49,50)/b8-6-,14-12-,23-18-/t43-/m1/s1
C45H84NO8P798.12416600
24768687

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h12,14,18,20,24,26,43H,3-11,13,15-17,19,21-23,25,27-42,46H2,1-2H3,(H,49,50)/b14-12-,20-18-,26-24-/t43-/m1/s1
C45H84NO8P798.12416600
24768715

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h12,14,17-20,43H,3-11,13,15-16,21-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,20-18-/t43-/m1/s1
C45H84NO8P798.12416600
24768747

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h11,13,17-20,43H,3-10,12,14-16,21-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,20-18-/t43-/m1/s1
C45H84NO8P798.12416600
24768779

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h17,19,23,25,29,31,43H,3-16,18,20-22,24,26-28,30,32-42,46H2,1-2H3,(H,49,50)/b19-17-,25-23-,31-29-/t43-/m1/s1
C45H84NO8P798.12415500
24768686

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h18,20,24,26,30,32,43H,3-17,19,21-23,25,27-29,31,33-42,46H2,1-2H3,(H,49,50)/b20-18-,26-24-,32-30-/t43-/m1/s1
C45H84NO8P798.12415500
24768569

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h12,14,17-19,23,43H,3-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-/t43-/m1/s1
C45H84NO8P798.12415500
24768966

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h12,14,17-19,23,43H,3-11,13,15-16,20-22,24-42,46H2,1-2H3,(H,49,50)/b14-12-,19-17-,23-18-/t43-/m1/s1
C45H84NO8P798.12415500
24768997

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C45H84NO8P/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/h11,13-14,16-17,19,43H,3-10,12,15,18,20-42,46H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-/t43-/m1/s1
C45H84NO8P798.12415500
74850766

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H84NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-2/h13,15-16,18-20,43H,5-12,14,17,21-42H2,1-4H3,(H,49,50)/b15-13-,18-16-,20-19-
C45H84NO8P798.12413300
74850785

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H84NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h19,21,24,26,30,32,43H,5-18,20,22-23,25,27-29,31,33-42H2,1-4H3,(H,49,50)/b21-19-,26-24-,32-30-
C45H84NO8P798.12413300
74850786

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H84NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h13,15,19,21,24,26,43H,5-12,14,16-18,20,22-23,25,27-42H2,1-4H3,(H,49,50)/b15-13-,21-19-,26-24-
C45H84NO8P798.12413300
74850811

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C45H84NO8P/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46(3)4)41-51-44(47)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h13,15-16,18-19,21,43H,5-12,14,17,20,22-42H2,1-4H3,(H,49,50)/b15-13-,18-16-,21-19-
C45H84NO8P798.12413300
1234

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