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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 12 results

Search term: C40H81N2O6P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34449011

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38-,39+/m0/s1
C40H81N2O6P717.0547181700
68003875

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+
C40H81N2O6P717.05475400
95583984

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)
C40H81N2O6P717.05473300
113381516

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-39(43)38(37-48-49(45,46)47-36-35-42(3,4)5)41-40(44)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38-,39+/m0/s1
C40H81N2O6P717.05472200
28533346

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H81N2O6P/c1-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-40(44)41-38(36-48-49(45,46)47-35-34-42(4,5)6)39(43)32-29-26-23-20-18-19-22-25-28-31-37(2)3/h29,32,37-39,43H,7-28,30-31,33-36H2,1-6H3,(H-,41,44,45,46)/b32-29+/t38-,39+/m0/s1
C40H81N2O6P717.05472500
24608386

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38-,39+/m1/s1
C40H81N2O6P717.054712000
113381564

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H81N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-40(44)42-38(37-48-49(45,46)47-36-35-41)39(43)33-31-29-27-25-12-10-8-6-4-2/h31,33,38-39,43H,3-30,32,34-37,41H2,1-2H3,(H,42,44)(H,45,46)/b33-31+/t38-,39+/m0/s1
C40H81N2O6P717.05471100
113381575

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H81N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-40(44)42-38(37-48-49(45,46)47-36-35-41)39(43)33-31-29-27-25-23-14-12-10-8-6-4-2/h31,33,38-39,43H,3-30,32,34-37,41H2,1-2H3,(H,42,44)(H,45,46)/b33-31+/t38-,39+/m0/s1
C40H81N2O6P717.05471100
128424228

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38-,39+/m0/s1
C40H81N2O6P717.05471100
71044190

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38?,39-/m1/s1
C40H81N2O6P717.054711000
75320546

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C40H81N2O6P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,38-39,43H,6-12,14,16-37H2,1-5H3,(H-,41,44,45,46)/b15-13+/t38-,39+/m0/s1
C40H81N2O6P717.05471100

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