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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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Single/Multi-component
Isotopically Labeled
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Found 8 results

Search term: C46H91N2O6P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113381537

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-19-17-15-13-11-9-7-2/h20-21,37,39,44-45,49H,6-19,22-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b21-20-,39-37+/t44-,45+/m0/s1
C46H91N2O6P799.19832200
113381538

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h11,13,37,39,44-45,49H,6-10,12,14-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b13-11-,39-37+/t44-,45+/m0/s1
C46H91N2O6P799.19832200
128424226

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h25-26,37,39,44-45,49H,6-24,27-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b26-25-,39-37+/t44-,45+/m0/s1
C46H91N2O6P799.19831100
24608394

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h34,36-37,39,44-45,49H,6-33,35,38,40-43H2,1-5H3,(H-,47,50,51,52)/b36-34-,39-37+/t44-,45+/m1/s1
C46H91N2O6P799.198311200
24608399

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h29,31,37,39,44-45,49H,6-28,30,32-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b31-29+,39-37+/t44-,45+/m1/s1
C46H91N2O6P799.198311200
71044198

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h34,36-37,39,44-45,49H,6-33,35,38,40-43H2,1-5H3,(H-,47,50,51,52)/b36-34-,39-37+/t44?,45-/m0/s1
C46H91N2O6P799.19831600
71044203

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h29,31,37,39,44-45,49H,6-28,30,32-36,38,40-43H2,1-5H3,(H-,47,50,51,52)/b31-29+,39-37+/t44?,45-/m1/s1
C46H91N2O6P799.19831600
75320554

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H91N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(50)47-44(43-54-55(51,52)53-42-41-48(3,4)5)45(49)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2/h15,17,27,29,44-45,49H,6-14,16,18-26,28,30-43H2,1-5H3,(H-,47,50,51,52)/b17-15+,29-27+/t44-,45+/m0/s1
C46H91N2O6P799.19831100

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