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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 18 results

Search term: C43H80NO9P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34999810

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO9P/c1-4-7-9-11-13-15-17-19-20-22-24-26-28-30-32-35-43(47)53-40(39-52-54(48,49)51-37-36-44-41(45)33-6-3)38-50-42(46)34-31-29-27-25-23-21-18-16-14-12-10-8-5-2/h13,15,19-20,40H,4-12,14,16-18,21-39H2,1-3H3,(H,44,45)(H,48,49)/b15-13-,20-19-/t40-/m1/s1
C43H80NO9P786.07043400
113376723

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H80NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-50-37-40(38-51-54(48,49)52-39-41(44)43(46)47)53-42(45)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h10,12,16,18,34,36,40-41H,3-9,11,13-15,17,19-33,35,37-39,44H2,1-2H3,(H,46,47)(H,48,49)/b12-10-,18-16-,36-34-/t40-,41+/m1/s1
C43H80NO9P786.07041100
117217559

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H80NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-33-40(45)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h19,21,25,27,29,32,40-41,45H,3-18,20,22-24,26,28,30-31,33-39,44H2,1-2H3,(H,48,49)/b21-19+,27-25+,32-29+/t40?,41-/m1/s1
C43H80NO9P786.07041100
117217560

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H80NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)35-31-33-40(45)32-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h19,21,25,27,29,32,40-41,45H,3-18,20,22-24,26,28,30-31,33-39,44H2,1-2H3,(H,48,49)/b21-19+,27-25+,32-29+/t40?,41-/m1/s1
C43H80NO9P786.07041100
117218119

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-23-25-29-33-40(45)32-28-24-21-10-8-6-4-2/h21,24,28,32,41H,3-20,22-23,25-27,29-31,33-39,44H2,1-2H3,(H,48,49)/b24-21-,32-28+/t41-/m1/s1
C43H80NO9P786.07041100
117218120

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-26-31-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-30-27-23-25-29-33-40(45)32-28-24-21-10-8-6-4-2/h21,24,28,32,41H,3-20,22-23,25-27,29-31,33-39,44H2,1-2H3,(H,48,49)/b24-21-,32-28+/t41-/m1/s1
C43H80NO9P786.07041100
117218121

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-23-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-24-21-18-19-22-25-29-33-40(45)32-28-6-4-2/h22,25,29,33,41H,3-21,23-24,26-28,30-32,34-39,44H2,1-2H3,(H,48,49)/b25-22-,33-29+/t41-/m1/s1
C43H80NO9P786.07041100
117218122

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C43H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-24-27-31-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-30-26-23-21-18-19-22-25-29-33-40(45)32-28-6-4-2/h22,25,29,33,41H,3-21,23-24,26-28,30-32,34-39,44H2,1-2H3,(H,48,49)/b25-22-,33-29+/t41-/m1/s1
C43H80NO9P786.07041100
117218157

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-23-25-29-33-40(45)32-28-24-21-10-8-6-4-2/h6,8,21,24,28,32,40-41,45H,3-5,7,9-20,22-23,25-27,29-31,33-39,44H2,1-2H3,(H,48,49)/b8-6+,24-21+,32-28+/t40?,41-/m1/s1
C43H80NO9P786.07041100
117218158

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-26-31-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-30-27-23-25-29-33-40(45)32-28-24-21-10-8-6-4-2/h6,8,21,24,28,32,40-41,45H,3-5,7,9-20,22-23,25-27,29-31,33-39,44H2,1-2H3,(H,48,49)/b8-6+,24-21+,32-28+/t40?,41-/m1/s1
C43H80NO9P786.07041100
117218159

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-23-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-24-21-18-19-22-25-29-33-40(45)32-28-6-4-2/h6,22,25,28-29,33,40-41,45H,3-5,7-21,23-24,26-27,30-32,34-39,44H2,1-2H3,(H,48,49)/b25-22+,28-6+,33-29+/t40?,41-/m1/s1
C43H80NO9P786.07041100
117218160

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C43H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-24-27-31-35-43(47)53-41(39-52-54(48,49)51-37-36-44)38-50-42(46)34-30-26-23-21-18-19-22-25-29-33-40(45)32-28-6-4-2/h6,22,25,28-29,33,40-41,45H,3-5,7-21,23-24,26-27,30-32,34-39,44H2,1-2H3,(H,48,49)/b25-22+,28-6+,33-29+/t40?,41-/m1/s1
C43H80NO9P786.07041100
117218211

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-29-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-30-26-22-24-28-32-41-40(53-41)31-27-23-10-8-6-4-2/h14-15,23,27,39-41H,3-13,16-22,24-26,28-38,44H2,1-2H3,(H,47,48)/b15-14-,27-23-/t39-,40?,41?/m1/s1
C43H80NO9P786.07041100
117218212

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H80NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-25-30-34-43(46)52-39(38-51-54(47,48)50-36-35-44)37-49-42(45)33-29-26-22-24-28-32-41-40(53-41)31-27-23-10-8-6-4-2/h14-15,23,27,39-41H,3-13,16-22,24-26,28-38,44H2,1-2H3,(H,47,48)/b15-14-,27-23-/t39-,40?,41?/m1/s1
C43H80NO9P786.07041100
117218213

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29-33-42(45)49-37-39(38-51-54(47,48)50-36-35-44)52-43(46)34-30-26-23-20-19-21-24-28-32-41-40(53-41)31-27-6-4-2/h12-13,24,28,39-41H,3-11,14-23,25-27,29-38,44H2,1-2H3,(H,47,48)/b13-12-,28-24-/t39-,40?,41?/m1/s1
C43H80NO9P786.07041100
117218214

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H80NO9P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-26-30-34-43(46)52-39(38-51-54(47,48)50-36-35-44)37-49-42(45)33-29-25-22-20-19-21-24-28-32-41-40(53-41)31-27-6-4-2/h12-13,24,28,39-41H,3-11,14-23,25-27,29-38,44H2,1-2H3,(H,47,48)/b13-12-,28-24-/t39-,40?,41?/m1/s1
C43H80NO9P786.07041100
24608372

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C43H80NO9P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)50-36-40(37-51-54(48,49)52-38-41(44)39(3)45)53-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h23,25,29,31,40-41H,4-22,24,26-28,30,32-38,44H2,1-3H3,(H,48,49)/b25-23-,31-29-
C43H80NO9P786.07041300
24608497

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C43H80NO9P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)50-36-40(37-51-54(48,49)52-38-41(44)39(3)45)53-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h28-31,40-41H,4-27,32-38,44H2,1-3H3,(H,48,49)/b30-28-,31-29-
C43H80NO9P786.07041300

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