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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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Isotopically Labeled
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Found 3 results

Search term: C54H105NO8 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30786184

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C54H105NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-50(58)55-46(43-44-48-52(60)54(62)53(61)49(45-56)63-48)51(59)47(57)41-39-37-35-33-31-16-14-12-10-8-6-4-2/h43-44,46-49,51-54,56-57,59-62H,3-42,45H2,1-2H3,(H,55,58)/b44-43+/t46-,47+,48+,49+,51-,52-,53-,54+/m0/s1
C54H105NO8896.41345600
8163871

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C54H105NO8/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-42-44-50(58)55-47(46-62-54-53(61)52(60)51(59)49(45-56)63-54)48(57)43-41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h41,43,47-49,51-54,56-57,59-61H,3-40,42,44-46H2,1-2H3,(H,55,58)/b43-41+/t47?,48?,49-,51-,52+,53-,54-/m1/s1
C54H105NO8896.41342100
9940933

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C54H105NO8/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-42-44-50(58)55-47(46-62-54-53(61)52(60)51(59)49(45-56)63-54)48(57)43-41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h41,43,47-49,51-54,56-57,59-61H,3-40,42,44-46H2,1-2H3,(H,55,58)/b43-41+/t47?,48?,49-,51+,52+,53-,54-/m1/s1
C54H105NO8896.41342100

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