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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 8 results

Search term: C41H78NO9P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113376592

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H78NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-48-35-38(36-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,38-39H,3-9,11,13-15,17,19-37,42H2,1-2H3,(H,44,45)(H,46,47)/b12-10-,18-16-/t38-,39+/m1/s1
C41H78NO9P760.03311100
113376675

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H78NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-40(43)51-38(36-49-52(46,47)50-37-39(42)41(44)45)35-48-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h19-20,32,34,38-39H,3-18,21-31,33,35-37,42H2,1-2H3,(H,44,45)(H,46,47)/b20-19-,34-32-/t38-,39+/m1/s1
C41H78NO9P760.03311100
113376695

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H78NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-48-35-38(36-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h16,18,32,34,38-39H,3-15,17,19-31,33,35-37,42H2,1-2H3,(H,44,45)(H,46,47)/b18-16-,34-32-/t38-,39+/m1/s1
C41H78NO9P760.03311100
113376718

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C41H78NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-48-35-38(36-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h12,14,32,34,38-39H,3-11,13,15-31,33,35-37,42H2,1-2H3,(H,44,45)(H,46,47)/b14-12-,34-32-/t38-,39+/m1/s1
C41H78NO9P760.03311100
117217524

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H78NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-23-27-31-40(43)47-35-37(36-49-52(45,46)48-34-33-42)50-41(44)32-28-24-20-22-26-30-39-38(51-39)29-25-21-10-8-6-4-2/h21,25,37-39H,3-20,22-24,26-36,42H2,1-2H3,(H,45,46)/b25-21-/t37-,38?,39?/m1/s1
C41H78NO9P760.03311100
117217525

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H78NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-23-28-32-41(44)50-37(36-49-52(45,46)48-34-33-42)35-47-40(43)31-27-24-20-22-26-30-39-38(51-39)29-25-21-10-8-6-4-2/h21,25,37-39H,3-20,22-24,26-36,42H2,1-2H3,(H,45,46)/b25-21-/t37-,38?,39?/m1/s1
C41H78NO9P760.03311100
117217526

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H78NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-23-27-31-40(43)47-35-37(36-49-52(45,46)48-34-33-42)50-41(44)32-28-24-21-18-17-19-22-26-30-39-38(51-39)29-25-6-4-2/h22,26,37-39H,3-21,23-25,27-36,42H2,1-2H3,(H,45,46)/b26-22-/t37-,38?,39?/m1/s1
C41H78NO9P760.03311100
117217527

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C41H78NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-24-28-32-41(44)50-37(36-49-52(45,46)48-34-33-42)35-47-40(43)31-27-23-20-18-17-19-22-26-30-39-38(51-39)29-25-6-4-2/h22,26,37-39H,3-21,23-25,27-36,42H2,1-2H3,(H,45,46)/b26-22-/t37-,38?,39?/m1/s1
C41H78NO9P760.03311100

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