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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
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Found 27 results

Search term: C47H86O6 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
71117139

Double-bond stereo
InChI=1/C47H86O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-34-36-39-45(48)51-42-44(53-47(50)41-38-33-12-9-6-3)43-52-46(49)40-37-35-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h21-24,44H,4-20,25-43H2,1-3H3/b23-21-,24-22-
C47H86O6747.18218700
59653491

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14-15,17-18,44H,4-13,16,19-43H2,1-3H3/b17-14-,18-15-/t44-/m1/s1
C47H86O6747.18215600
30777850

Double-bond stereo
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14-15,17-18,44H,4-13,16,19-43H2,1-3H3/b17-14-,18-15-
C47H86O6747.18214400
30779207

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)53-47(50)41-38-35-32-29-26-24-22-20-17-14-11-8-5-2/h19-22,44H,4-18,23-43H2,1-3H3/b21-19-,22-20-/t44-/m1/s1
C47H86O6747.18213300
59656895

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14,17,19,22,44H,4-13,15-16,18,20-21,23-43H2,1-3H3/b17-14-,22-19-/t44-/m0/s1
C47H86O6747.18213400
59651838

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h15,18-19,22,44H,4-14,16-17,20-21,23-43H2,1-3H3/b18-15-,22-19-/t44-/m0/s1
C47H86O6747.18213400
59651866

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14,17,19,22,44H,4-13,15-16,18,20-21,23-43H2,1-3H3/b17-14-,22-19-/t44-/m1/s1
C47H86O6747.18213400
35015436

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h15,18-19,22,44H,4-14,16-17,20-21,23-43H2,1-3H3/b18-15-,22-19-
C47H86O6747.18212100
35015464

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2)43-52-46(49)40-37-34-31-28-25-21-18-15-12-9-6-3/h14,17,19,22,44H,4-13,15-16,18,20-21,23-43H2,1-3H3/b17-14-,22-19-
C47H86O6747.18212100
35017133

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14-15,17-18,44H,4-13,16,19-43H2,1-3H3/b17-14-,18-15-
C47H86O6747.18212100
35020628

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h14,17,19,22,44H,4-13,15-16,18,20-21,23-43H2,1-3H3/b17-14-,22-19-
C47H86O6747.18212100
75319984

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-20-21-22-23-24-25-26-29-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-28-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-17-14-11-8-5-2/h16,19,21-22,44H,4-15,17-18,20,23-43H2,1-3H3/b19-16-,22-21-/t44-/m1/s1
C47H86O6747.18212200
75319987

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-21-22-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-20-17-14-11-8-5-2/h16,19,22-23,44H,4-15,17-18,20-21,24-43H2,1-3H3/b19-16-,23-22-/t44-/m1/s1
C47H86O6747.18212200
75319991

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-21-22-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-20-17-14-11-8-5-2/h14,17,22-23,44H,4-13,15-16,18-21,24-43H2,1-3H3/b17-14-,23-22-/t44-/m1/s1
C47H86O6747.18212200
75320075

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-24-25-26-29-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-28-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-20-17-14-11-8-5-2/h16,19,23-24,44H,4-15,17-18,20-22,25-43H2,1-3H3/b19-16-,24-23-/t44-/m1/s1
C47H86O6747.18212200
75320186

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-26-28-31-34-37-40-46(49)52-43-44(53-47(50)41-38-35-32-29-25-21-18-15-12-9-6-3)42-51-45(48)39-36-33-30-27-24-20-17-14-11-8-5-2/h15,18-19,22,44H,4-14,16-17,20-21,23-43H2,1-3H3/b18-15-,22-19-/t44-/m1/s1
C47H86O6747.18212200
113372194

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-20-17-14-11-8-5-2/h13,16,22-23,44H,4-12,14-15,17-21,24-43H2,1-3H3/b16-13-,23-22-/t44-/m1/s1
C47H86O6747.18211100
113372216

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-23-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-20-17-14-11-8-5-2/h14,17,22-23,44H,4-13,15-16,18-21,24-43H2,1-3H3/b17-14-,23-22-/t44-/m1/s1
C47H86O6747.18211100
113372256

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-30-27-21-18-15-12-9-6-3)53-47(50)41-38-35-32-29-25-23-20-17-14-11-8-5-2/h17,19-20,22,44H,4-16,18,21,23-43H2,1-3H3/b20-17-,22-19-/t44-/m1/s1
C47H86O6747.18211100
67491937

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C47H86O6/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-34-37-40-46(49)52-43-44(42-51-45(48)39-36-33-12-9-6-3)53-47(50)41-38-35-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h21-24,44H,4-20,25-43H2,1-3H3/b23-21-,24-22-/t44-/m0/s1
C47H86O6747.18211100
12

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