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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 78 results

Search term: C46H84NO8P (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17347139

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h14,16,20,22,25,27,31,33,44H,6-13,15,17-19,21,23-24,26,28-30,32,34-43H2,1-5H3/b16-14-,22-20-,27-25-,33-31-/t44-/m1/s1
C46H84NO8P810.1348474200
24766658

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h14,16,20-21,23-24,27,29,44H,6-13,15,17-19,22,25-26,28,30-43H2,1-5H3/b16-14-,21-20-,24-23-,29-27-/t44-/m1/s1
C46H84NO8P810.1348141500
24766966

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h9,11,15,17,20-22,24,44H,6-8,10,12-14,16,18-19,23,25-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-/t44-/m1/s1
C46H84NO8P810.1348141400
24766997

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h14-17,20-22,24,44H,6-13,18-19,23,25-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-/t44-/m1/s1
C46H84NO8P810.1348141400
24766774

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h20-22,24-25,27,31,33,44H,6-19,23,26,28-30,32,34-43H2,1-5H3/b22-20-,24-21-,27-25-,33-31-/t44-/m1/s1
C46H84NO8P810.1348131400
24766775

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h14,16,20-22,24-25,27,44H,6-13,15,17-19,23,26,28-43H2,1-5H3/b16-14-,22-20-,24-21-,27-25-/t44-/m1/s1
C46H84NO8P810.1348131400
24766806

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h14-17,20-22,24,44H,6-13,18-19,23,25-43H2,1-5H3/b16-14-,17-15-,22-20-,24-21-/t44-/m1/s1
C46H84NO8P810.1348131300
24766838

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h15,17,20-22,24,28,30,44H,6-14,16,18-19,23,25-27,29,31-43H2,1-5H3/b17-15-,22-20-,24-21-,30-28-/t44-/m1/s1
C46H84NO8P810.1348131300
24766871

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h9,11,15,17,20-22,24,44H,6-8,10,12-14,16,18-19,23,25-43H2,1-5H3/b11-9-,17-15-,22-20-,24-21-/t44-/m1/s1
C46H84NO8P810.1348131300
24766903

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h9,11,15,17,21,24,28,30,44H,6-8,10,12-14,16,18-20,22-23,25-27,29,31-43H2,1-5H3/b11-9-,17-15-,24-21-,30-28-/t44-/m1/s1
C46H84NO8P810.1348131300
24766935

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h9,11,15,17,21,24,29,31,44H,6-8,10,12-14,16,18-20,22-23,25-28,30,32-43H2,1-5H3/b11-9-,17-15-,24-21-,31-29-/t44-/m1/s1
C46H84NO8P810.1348131300
24766965

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h15,17,20-22,24,29,31,44H,6-14,16,18-19,23,25-28,30,32-43H2,1-5H3/b17-15-,22-20-,24-21-,31-29-/t44-/m1/s1
C46H84NO8P810.1348131300
24767061

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h14,16,20-22,24-26,44H,6-13,15,17-19,23,27-43H2,1-5H3/b16-14-,22-20-,24-21-,26-25-/t44-/m1/s1
C46H84NO8P810.1348131300
24767092

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h14,16,20,22,25-26,30,32,44H,6-13,15,17-19,21,23-24,27-29,31,33-43H2,1-5H3/b16-14-,22-20-,26-25-,32-30-/t44-/m1/s1
C46H84NO8P810.1348131300
24767287

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h14,16,20-21,23-24,27-28,44H,6-13,15,17-19,22,25-26,29-43H2,1-5H3/b16-14-,21-20-,24-23-,28-27-/t44-/m1/s1
C46H84NO8P810.1348131300
24767028

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h20-22,24-26,30,32,44H,6-19,23,27-29,31,33-43H2,1-5H3/b22-20-,24-21-,26-25-,32-30-/t44-/m1/s1
C46H84NO8P810.1348121200
24767060

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h14,16-17,19-20,22,25-26,44H,6-13,15,18,21,23-24,27-43H2,1-5H3/b16-14-,19-17-,22-20-,26-25-/t44-/m1/s1
C46H84NO8P810.1348121200
24766713

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h8,10,14,16,20,22,25,27,44H,6-7,9,11-13,15,17-19,21,23-24,26,28-43H2,1-5H3/b10-8-,16-14-,22-20-,27-25-/t44-/m1/s1
C46H84NO8P810.1348121200
24766743

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h17,19-20,22,25,27,31,33,44H,6-16,18,21,23-24,26,28-30,32,34-43H2,1-5H3/b19-17-,22-20-,27-25-,33-31-/t44-/m1/s1
C46H84NO8P810.1348121200
24766744

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C46H84NO8P/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/h14,16-17,19-20,22,25,27,44H,6-13,15,18,21,23-24,26,28-43H2,1-5H3/b16-14-,19-17-,22-20-,27-25-/t44-/m1/s1
C46H84NO8P810.1348121200
1234

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