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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
Additional Filters

Found 94 results

Search term: C45H76NO9P (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24608516

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C45H76NO9P/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-45(49)55-42(39-53-56(50,51)54-40-43(46)41(3)47)38-52-44(48)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h8,10,14,16,20-21,25,27,30-33,42-43H,4-7,9,11-13,15,17-19,22-24,26,28-29,34-40,46H2,1-3H3,(H,50,51)/b10-8-,16-14-,21-20-,27-25-,32-30-,33-31-
C45H76NO9P806.061100
117217629

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-42(47)36-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,32,34,42-43,47H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31,33,35-41,46H2,1-2H3,(H,50,51)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-,34-32-/t42?,43-/m1/s1
C45H76NO9P806.061100
117217630

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-42(47)36-37-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19,22,24,28,30,32,34,42-43,47H,3-4,6,8-10,12,15,18,20-21,23,25-27,29,31,33,35-41,46H2,1-2H3,(H,50,51)/b7-5-,13-11-,16-14-,19-17-,24-22-,30-28-,34-32-/t42?,43-/m1/s1
C45H76NO9P806.061100
117217631

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-29-31-35-42(47)34-30-27-25-23-21-19-16-14-12-10-8-6-4-2/h6,8,12-15,19,21,25,27,29-31,34,42-43,47H,3-5,7,9-11,16-18,20,22-24,26,28,32-33,35-41,46H2,1-2H3,(H,50,51)/b8-6-,14-12-,15-13-,21-19-,27-25-,31-29-,34-30-/t42?,43-/m1/s1
C45H76NO9P806.061100
117217632

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)36-33-29-31-35-42(47)34-30-27-25-23-21-19-16-14-12-10-8-6-4-2/h6,8,12-15,19,21,25,27,29-31,34,42-43,47H,3-5,7,9-11,16-18,20,22-24,26,28,32-33,35-41,46H2,1-2H3,(H,50,51)/b8-6-,14-12-,15-13-,21-19-,27-25-,31-29-,34-30-/t42?,43-/m1/s1
C45H76NO9P806.061100
117217633

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-21-24-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-29-25-22-19-18-20-23-27-31-35-42(47)34-30-26-10-8-6-4-2/h6,8,12-13,18-19,23,25-27,29-31,35,42-43,47H,3-5,7,9-11,14-17,20-22,24,28,32-34,36-41,46H2,1-2H3,(H,50,51)/b8-6-,13-12-,19-18-,27-23-,29-25-,30-26-,35-31+/t42?,43-/m1/s1
C45H76NO9P806.061100
117217634

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-22-25-29-33-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)36-32-28-24-21-19-18-20-23-27-31-35-42(47)34-30-26-10-8-6-4-2/h6,8,12-13,18-19,23-24,26-28,30-31,35,42-43,47H,3-5,7,9-11,14-17,20-22,25,29,32-34,36-41,46H2,1-2H3,(H,50,51)/b8-6-,13-12-,19-18-,27-23-,28-24-,30-26-,35-31+/t42?,43-/m1/s1
C45H76NO9P806.061100
117217635

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-8-9-10-11-12-13-16-19-22-25-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-29-26-23-20-17-14-15-18-21-24-27-31-35-42(47)34-30-6-4-2/h6,10-11,15,17-18,20,24,26-27,29-31,35,42-43,47H,3-5,7-9,12-14,16,19,21-23,25,28,32-34,36-41,46H2,1-2H3,(H,50,51)/b11-10-,18-15-,20-17-,27-24+,29-26-,30-6-,35-31+/t42?,43-/m1/s1
C45H76NO9P806.061100
117217636

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-8-9-10-11-12-13-16-20-23-26-29-33-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)36-32-28-25-22-19-17-14-15-18-21-24-27-31-35-42(47)34-30-6-4-2/h6,10-11,15,17-19,24-25,27-28,30-31,35,42-43,47H,3-5,7-9,12-14,16,20-23,26,29,32-34,36-41,46H2,1-2H3,(H,50,51)/b11-10-,18-15-,19-17-,27-24+,28-25-,30-6-,35-31+/t42?,43-/m1/s1
C45H76NO9P806.061100
117217639

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H76NO9P/c1-3-5-7-8-9-10-11-12-13-14-18-21-24-27-31-35-44(47)51-39-41(40-53-56(49,50)52-38-37-46)54-45(48)36-32-28-25-22-19-16-15-17-20-23-26-30-34-43-42(55-43)33-29-6-4-2/h6,10-11,16-17,19-20,25-26,28-30,41-43H,3-5,7-9,12-15,18,21-24,27,31-40,46H2,1-2H3,(H,49,50)/b11-10-,19-16-,20-17-,28-25-,29-6-,30-26-/t41-,42?,43?/m1/s1
C45H76NO9P806.061100
117217640

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H76NO9P/c1-3-5-7-8-9-10-11-12-13-14-19-22-25-28-32-36-45(48)54-41(40-53-56(49,50)52-38-37-46)39-51-44(47)35-31-27-24-21-18-16-15-17-20-23-26-30-34-43-42(55-43)33-29-6-4-2/h6,10-11,16-18,20,24,26-27,29-30,41-43H,3-5,7-9,12-15,19,21-23,25,28,31-40,46H2,1-2H3,(H,49,50)/b11-10-,18-16-,20-17-,27-24-,29-6-,30-26-/t41-,42?,43?/m1/s1
C45H76NO9P806.061100
117217715

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-42(47)36-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,32,34,42-43,47H,3-4,6,8-10,12,14-16,21,23,25-27,29,31,33,35-41,46H2,1-2H3,(H,50,51)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,34-32-/t42?,43-/m1/s1
C45H76NO9P806.061100
117217716

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-42(47)36-37-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,22,24,28,30,32,34,42-43,47H,3-4,6,8-10,12,14-16,21,23,25-27,29,31,33,35-41,46H2,1-2H3,(H,50,51)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-,34-32-/t42?,43-/m1/s1
C45H76NO9P806.061100
117217717

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-29-31-35-42(47)34-30-27-25-23-21-19-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,25,27,29-31,34,42-43,47H,3-5,7,9-11,13,15-16,20,22-24,26,28,32-33,35-41,46H2,1-2H3,(H,50,51)/b8-6-,14-12-,18-17-,21-19-,27-25-,31-29-,34-30-/t42?,43-/m1/s1
C45H76NO9P806.061100
117217718

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-32-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)36-33-29-31-35-42(47)34-30-27-25-23-21-19-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,25,27,29-31,34,42-43,47H,3-5,7,9-11,13,15-16,20,22-24,26,28,32-33,35-41,46H2,1-2H3,(H,50,51)/b8-6-,14-12-,18-17-,21-19-,27-25-,31-29-,34-30-/t42?,43-/m1/s1
C45H76NO9P806.061100
117217719

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-21-24-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-29-25-22-19-18-20-23-27-31-35-42(47)34-30-26-10-8-6-4-2/h6,8,14-15,18-19,23,25-27,29-31,35,42-43,47H,3-5,7,9-13,16-17,20-22,24,28,32-34,36-41,46H2,1-2H3,(H,50,51)/b8-6-,15-14-,19-18-,27-23-,29-25-,30-26-,35-31+/t42?,43-/m1/s1
C45H76NO9P806.061100
117217720

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-22-25-29-33-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)36-32-28-24-21-19-18-20-23-27-31-35-42(47)34-30-26-10-8-6-4-2/h6,8,14-15,18-19,23-24,26-28,30-31,35,42-43,47H,3-5,7,9-13,16-17,20-22,25,29,32-34,36-41,46H2,1-2H3,(H,50,51)/b8-6-,15-14-,19-18-,27-23-,28-24-,30-26-,35-31+/t42?,43-/m1/s1
C45H76NO9P806.061100
117217721

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-8-9-10-11-12-13-16-19-22-25-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-29-26-23-20-17-14-15-18-21-24-27-31-35-42(47)34-30-6-4-2/h6,12-13,15,17-18,20,24,26-27,29-31,35,42-43,47H,3-5,7-11,14,16,19,21-23,25,28,32-34,36-41,46H2,1-2H3,(H,50,51)/b13-12-,18-15-,20-17-,27-24+,29-26-,30-6-,35-31+/t42?,43-/m1/s1
C45H76NO9P806.061100
117217722

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C45H76NO9P/c1-3-5-7-8-9-10-11-12-13-16-20-23-26-29-33-37-45(49)55-43(41-54-56(50,51)53-39-38-46)40-52-44(48)36-32-28-25-22-19-17-14-15-18-21-24-27-31-35-42(47)34-30-6-4-2/h6,12-13,15,17-19,24-25,27-28,30-31,35,42-43,47H,3-5,7-11,14,16,20-23,26,29,32-34,36-41,46H2,1-2H3,(H,50,51)/b13-12-,18-15-,19-17-,27-24+,28-25-,30-6-,35-31+/t42?,43-/m1/s1
C45H76NO9P806.061100
117217725

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C45H76NO9P/c1-3-5-7-8-9-10-11-12-13-14-18-21-24-27-31-35-44(47)51-39-41(40-53-56(49,50)52-38-37-46)54-45(48)36-32-28-25-22-19-16-15-17-20-23-26-30-34-43-42(55-43)33-29-6-4-2/h6,12-13,16-17,19-20,25-26,28-30,41-43H,3-5,7-11,14-15,18,21-24,27,31-40,46H2,1-2H3,(H,49,50)/b13-12-,19-16-,20-17-,28-25-,29-6-,30-26-/t41-,42?,43?/m1/s1
C45H76NO9P806.061100
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