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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 60 results

Search term: C46H86NO8P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24766712

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,44H,6-13,15,17-19,21,23-24,26,28-43H2,1-5H3/b16-14-,22-20-,27-25-/t44-/m1/s1
C46H86NO8P812.1507141500
24766934

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,24,44H,6-8,10,12-14,16,18-20,22-23,25-43H2,1-5H3/b11-9-,17-15-,24-21-/t44-/m1/s1
C46H86NO8P812.1507141400
24766964

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24,44H,6-14,16,18-19,23,25-43H2,1-5H3/b17-15-,22-20-,24-21-/t44-/m1/s1
C46H86NO8P812.1507141400
24766996

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24,44H,6-13,15,17-19,23,25-43H2,1-5H3/b16-14-,22-20-,24-21-/t44-/m1/s1
C46H86NO8P812.1507131300
24767059

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25-26,44H,6-13,15,17-19,21,23-24,27-43H2,1-5H3/b16-14-,22-20-,26-25-/t44-/m1/s1
C46H86NO8P812.1507131300
24766711

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h20,22,25,27,31,33,44H,6-19,21,23-24,26,28-30,32,34-43H2,1-5H3/b22-20-,27-25-,33-31-/t44-/m1/s1
C46H86NO8P812.1507131400
24766773

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20-22,24,44H,6-13,15,17-19,23,25-43H2,1-5H3/b16-14-,22-20-,24-21-/t44-/m1/s1
C46H86NO8P812.1507131300
24766805

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,20-22,24,44H,6-14,16,18-19,23,25-43H2,1-5H3/b17-15-,22-20-,24-21-/t44-/m1/s1
C46H86NO8P812.1507131300
24766837

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,28,30,44H,6-14,16,18-20,22-23,25-27,29,31-43H2,1-5H3/b17-15-,24-21-,30-28-/t44-/m1/s1
C46H86NO8P812.1507131300
24766870

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,24,44H,6-8,10,12-14,16,18-20,22-23,25-43H2,1-5H3/b11-9-,17-15-,24-21-/t44-/m1/s1
C46H86NO8P812.1507131300
24766933

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h15,17,21,24,29,31,44H,6-14,16,18-20,22-23,25-28,30,32-43H2,1-5H3/b17-15-,24-21-,31-29-/t44-/m1/s1
C46H86NO8P812.1507131300
24766689

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,44H,6-13,15,18,22-43H2,1-5H3/b16-14-,19-17-,21-20-/t44-/m1/s1
C46H86NO8P812.1507121300
24766742

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,44H,6-13,15,18,21,23-43H2,1-5H3/b16-14-,19-17-,22-20-/t44-/m1/s1
C46H86NO8P812.1507121200
24767255

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,44H,6-13,15,18,22-43H2,1-5H3/b16-14-,19-17-,21-20-/t44-/m1/s1
C46H86NO8P812.1507121200
24767026

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h20,22,25-26,30,32,44H,6-19,21,23-24,27-29,31,33-43H2,1-5H3/b22-20-,26-25-,32-30-/t44-/m1/s1
C46H86NO8P812.1507121200
24766995

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,44H,6-13,15,18,21,23-43H2,1-5H3/b16-14-,19-17-,22-20-/t44-/m1/s1
C46H86NO8P812.1507121200
74850084

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C46H86NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47-3)42-52-45(48)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h13,15,19,24,28,30,44,47H,4-12,14,16-18,20-23,25-27,29,31-43H2,1-3H3,(H,50,51)/b15-13-,24-19-,30-28-
C46H86NO8P812.15073300
74850113

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C46H86NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47-3)42-52-45(48)38-36-34-32-30-28-26-24-19-17-15-13-11-9-7-5-2/h7,9,13,15,19,24,44,47H,4-6,8,10-12,14,16-18,20-23,25-43H2,1-3H3,(H,50,51)/b9-7-,15-13-,24-19-
C46H86NO8P812.15073300
74850165

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C46H86NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47-3)55-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h19,21,25,27,31,33,44,47H,4-18,20,22-24,26,28-30,32,34-43H2,1-3H3,(H,50,51)/b21-19-,27-25-,33-31-
C46H86NO8P812.15073300
74850166

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C46H86NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47-3)55-46(49)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h13,15,19,21,25,27,44,47H,4-12,14,16-18,20,22-24,26,28-43H2,1-3H3,(H,50,51)/b15-13-,21-19-,27-25-
C46H86NO8P812.15073300
123

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