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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 4 results

Search term: C46H81O14P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
117224462

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C46H81O14P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-29-44(51)56-36-40(37-58-61(54,55)57-35-39(49)34-47)59-45(52)30-26-22-21-24-28-41-42(50)33-46(53)60-43(41)32-31-38(48)27-23-6-4-2/h9-10,12-13,21,24,31-32,38-43,46-50,53H,3-8,11,14-20,22-23,25-30,33-37H2,1-2H3,(H,54,55)/b10-9-,13-12-,24-21-,32-31+/t38-,39-,40+,41-,42-,43+,46?/m0/s1
C46H81O14P889.10071100
117224463

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C46H81O14P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-30-45(52)59-40(37-58-61(54,55)57-35-39(49)34-47)36-56-44(51)29-25-22-21-24-28-41-42(50)33-46(53)60-43(41)32-31-38(48)27-23-6-4-2/h9-10,12-13,21,24,31-32,38-43,46-50,53H,3-8,11,14-20,22-23,25-30,33-37H2,1-2H3,(H,54,55)/b10-9-,13-12-,24-21-,32-31+/t38-,39-,40+,41-,42-,43+,46?/m0/s1
C46H81O14P889.10071100
128427603

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O14P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-45(53)57-35-40(36-59-61(55,56)58-34-39(50)33-47)60-46(54)28-24-23-26-38(49)31-42-41(43(51)32-44(42)52)30-29-37(48)25-21-6-4-2/h9-10,12-13,29-30,37,39-44,47-48,50-52H,3-8,11,14-28,31-36H2,1-2H3,(H,55,56)/b10-9-,13-12-,30-29+/t37-,39-,40+,41+,42+,43+,44-/m0/s1
C46H81O14P889.10071100
128427604

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C46H81O14P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-28-46(54)60-40(36-59-61(55,56)58-34-39(50)33-47)35-57-45(53)27-24-23-26-38(49)31-42-41(43(51)32-44(42)52)30-29-37(48)25-21-6-4-2/h9-10,12-13,29-30,37,39-44,47-48,50-52H,3-8,11,14-28,31-36H2,1-2H3,(H,55,56)/b10-9-,13-12-,30-29+/t37-,39-,40+,41+,42+,43+,44-/m0/s1
C46H81O14P889.10071100

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