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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 20 results

Search term: C41H77O13P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24767664

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36-41,44-48H,3-13,15,17-32H2,1-2H3,(H,49,50)/b16-14-/t33-,36?,37-,38?,39?,40?,41-/m1/s1
C41H77O13P809.0161100
24767682

Double-bond stereo

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36-41,44-48H,3-12,14,16-32H2,1-2H3,(H,49,50)/b15-13-/t33-,36?,37-,38?,39?,40?,41-/m1/s1
C41H77O13P809.0161100
113377870

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h15-16,33,36-41,44-48H,3-14,17-32H2,1-2H3,(H,49,50)/b16-15-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113377893

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h17-18,33,36-41,44-48H,3-16,19-32H2,1-2H3,(H,49,50)/b18-17-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113377930

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-19-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h10,12,33,36-41,44-48H,3-9,11,13-32H2,1-2H3,(H,49,50)/b12-10-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113377954

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-19-16-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h15,17,33,36-41,44-48H,3-14,16,18-32H2,1-2H3,(H,49,50)/b17-15-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113377980

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-19-16-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h12,14,33,36-41,44-48H,3-11,13,15-32H2,1-2H3,(H,49,50)/b14-12-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113378018

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,33,36-41,44-48H,3-12,14,16-32H2,1-2H3,(H,49,50)/b15-13-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113378039

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-34(42)51-31-33(53-35(43)30-28-26-24-22-19-16-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h12,14,33,36-41,44-48H,3-11,13,15-32H2,1-2H3,(H,49,50)/b14-12-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113378063

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-34(42)51-31-33(53-35(43)30-28-26-24-22-19-16-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h15,17,33,36-41,44-48H,3-14,16,18-32H2,1-2H3,(H,49,50)/b17-15-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113378120

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)51-31-33(53-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h10,12,33,36-41,44-48H,3-9,11,13-32H2,1-2H3,(H,49,50)/b12-10-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113378292

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-34(42)51-31-33(53-35(43)30-28-26-24-21-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h17-18,33,36-41,44-48H,3-16,19-32H2,1-2H3,(H,49,50)/b18-17-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113378339

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-34(42)51-31-33(53-35(43)30-28-26-24-21-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h15-16,33,36-41,44-48H,3-14,17-32H2,1-2H3,(H,49,50)/b16-15-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113378691

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(42)51-31-33(53-35(43)30-28-26-24-22-19-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h16-17,33,36-41,44-48H,3-15,18-32H2,1-2H3,(H,49,50)/b17-16-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113378718

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,33,36-41,44-48H,3-13,15,17-32H2,1-2H3,(H,49,50)/b16-14-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
113378790

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(43)53-33(31-51-34(42)29-27-25-23-21-19-14-12-10-8-6-4-2)32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48/h16-17,33,36-41,44-48H,3-15,18-32H2,1-2H3,(H,49,50)/b17-16-/t33-,36-,37-,38+,39-,40-,41-/m1/s1
C41H77O13P809.0161100
128427794

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C41H77O13P/c1-4-6-15-21-33(43)25-26-37-36(38(45)27-39(37)46)22-17-13-14-19-24-41(48)54-35(31-53-55(49,50)52-29-34(44)28-42)30-51-40(47)23-18-12-10-8-7-9-11-16-20-32(3)5-2/h25-26,32-39,42-46H,4-24,27-31H2,1-3H3,(H,49,50)/b26-25+/t32?,33-,34-,35+,36+,37+,38-,39+/m0/s1
C41H77O13P809.0161100
128427795

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C41H77O13P/c1-4-6-15-21-33(43)25-26-37-36(38(45)27-39(37)46)22-17-13-14-18-23-40(47)51-30-35(31-53-55(49,50)52-29-34(44)28-42)54-41(48)24-19-12-10-8-7-9-11-16-20-32(3)5-2/h25-26,32-39,42-46H,4-24,27-31H2,1-3H3,(H,49,50)/b26-25+/t32?,33-,34-,35+,36+,37+,38-,39+/m0/s1
C41H77O13P809.0161100
128427920

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-4-5-15-21-33(43)25-26-37-36(38(45)27-39(37)46)22-17-13-14-19-24-41(48)54-35(31-53-55(49,50)52-29-34(44)28-42)30-51-40(47)23-18-12-10-8-6-7-9-11-16-20-32(2)3/h25-26,32-39,42-46H,4-24,27-31H2,1-3H3,(H,49,50)/b26-25+/t33-,34-,35+,36+,37+,38-,39+/m0/s1
C41H77O13P809.0161100
128427921

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C41H77O13P/c1-4-5-15-21-33(43)25-26-37-36(38(45)27-39(37)46)22-17-13-14-18-23-40(47)51-30-35(31-53-55(49,50)52-29-34(44)28-42)54-41(48)24-19-12-10-8-6-7-9-11-16-20-32(2)3/h25-26,32-39,42-46H,4-24,27-31H2,1-3H3,(H,49,50)/b26-25+/t33-,34-,35+,36+,37+,38-,39+/m0/s1
C41H77O13P809.0161100

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