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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 35 results

Search term: C42H81O10P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24768103

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/b20-18-/t39-,40+/m0/s1
C42H81O10P777.0603121400
24768131

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,39-40,43-44H,3-16,18,20-38H2,1-2H3,(H,47,48)/b19-17-/t39-,40+/m0/s1
C42H81O10P777.0603111100
24768116

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,39-40,43-44H,3-12,14,16-38H2,1-2H3,(H,47,48)/b15-13-/t39-,40+/m0/s1
C42H81O10P777.0603101000
24768102

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,39-40,43-44H,3-13,15,17-38H2,1-2H3,(H,47,48)/b16-14-/t39-,40+/m0/s1
C42H81O10P777.06038800
4932163

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h16,18,39-40,43-44H,3-15,17,19-38H2,1-2H3,(H,47,48)/b18-16-
C42H81O10P777.06034400
7826073

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/b20-18-/t39-,40?/m0/s1
C42H81O10P777.06033300
9426328

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-16-18-20-22-26-30-34-42(46)50-37-39(38-52-53(47,48)51-35-31-27-23-24-28-32-40(43)44)36-49-41(45)33-29-25-21-19-17-14-12-10-8-6-4-2/h39H,3-38H2,1-2H3,(H,43,44)(H,47,48)
C42H81O10P777.06032100
9775022

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,39-40,43-44H,3-16,18,20-38H2,1-2H3,(H,47,48)/b19-17-
C42H81O10P777.06032100
59695728

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-12-13-14-15-16-18-22-26-30-41(45)49-35-40(36-51-53(47,48)50-34-39(44)33-43)52-42(46)31-27-23-19-21-25-29-38-32-37(38)28-24-20-17-10-8-6-4-2/h37-40,43-44H,3-36H2,1-2H3,(H,47,48)/t37?,38?,39-,40+/m0/s1
C42H81O10P777.06032200
59699508

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,39-40,43-44H,3-13,15,17-38H2,1-2H3,(H,47,48)/b16-14+/t39-,40+/m0/s1
C42H81O10P777.06031100
59699509

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39-40,43-44H,3-17,19,21-38H2,1-2H3,(H,47,48)/b20-18+/t39-,40+/m0/s1
C42H81O10P777.06031100
59699520

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,39-40,43-44H,3-12,14,16-38H2,1-2H3,(H,47,48)/b15-13+/t39-,40+/m0/s1
C42H81O10P777.06031100
59699533

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,39-40,43-44H,3-16,18,20-38H2,1-2H3,(H,47,48)/b19-17+/t39-,40+/m0/s1
C42H81O10P777.06031100
113376858

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-14-12-10-8-6-4-2/h18-19,39-40,43-44H,3-17,20-38H2,1-2H3,(H,47,48)/b19-18-/t39-,40+/m0/s1
C42H81O10P777.06031100
113376886

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-14-12-10-8-6-4-2/h10,12,39-40,43-44H,3-9,11,13-38H2,1-2H3,(H,47,48)/b12-10-/t39-,40+/m0/s1
C42H81O10P777.06031100
113376938

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h12,14,39-40,43-44H,3-11,13,15-38H2,1-2H3,(H,47,48)/b14-12-/t39-,40+/m0/s1
C42H81O10P777.06031100
113376961

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h14,16,39-40,43-44H,3-13,15,17-38H2,1-2H3,(H,47,48)/b16-14-/t39-,40+/m0/s1
C42H81O10P777.06031100
113376978

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,39-40,43-44H,3-18,21-38H2,1-2H3,(H,47,48)/b20-19-/t39-,40+/m0/s1
C42H81O10P777.06031100
113377004

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-42(46)52-40(38-51-53(47,48)50-36-39(44)35-43)37-49-41(45)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h16,18,39-40,43-44H,3-15,17,19-38H2,1-2H3,(H,47,48)/b18-16-/t39-,40+/m0/s1
C42H81O10P777.06031100
113377165

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C42H81O10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h16,18,39-40,43-44H,3-15,17,19-38H2,1-2H3,(H,47,48)/b18-16-/t39-,40+/m0/s1
C42H81O10P777.06031100
12

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