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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 4 results

Search term: C46H91NO3 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34448758

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H91NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-46(50)47-44(43-48)45(49)41-39-37-35-33-31-29-16-14-12-10-8-6-4-2/h39,41,44-45,48-49H,3-38,40,42-43H2,1-2H3,(H,47,50)/b41-39+/t44-,45+/m0/s1
C46H91NO3706.21965600
8298399

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C46H91NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-46(50)47-44(43-48)45(49)41-39-37-35-33-31-29-16-14-12-10-8-6-4-2/h39,41,44-45,48-49H,3-38,40,42-43H2,1-2H3,(H,47,50)/b41-39+
C46H91NO3706.21962100
23177595

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C46H91NO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-44(47-45(48)41-38-35-32-29-26-23-20-17-14-11-8-5-2)43-50-46(49)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h44H,4-43H2,1-3H3,(H,47,48)
C46H91NO3706.21962200
29215641

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H91NO3/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-45(49)44(43-48)47-46(50)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h39,41,44-45,48-49H,3-38,40,42-43H2,1-2H3,(H,47,50)/b41-39+/t44-,45+/m0/s1
C46H91NO3706.21962200

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