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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 8 results

Search term: C43H82NO9P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24608371

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C43H82NO9P/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/h29,31,40-41H,4-28,30,32-38,44H2,1-3H3,(H,48,49)/b31-29-
C43H82NO9P788.08621300
113376616

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H82NO9P/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/h10,12,16,18,40-41H,3-9,11,13-15,17,19-39,44H2,1-2H3,(H,46,47)(H,48,49)/b12-10-,18-16-/t40-,41+/m1/s1
C43H82NO9P788.08621100
113376703

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H82NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(45)53-40(38-51-54(48,49)52-39-41(44)43(46)47)37-50-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,34,36,40-41H,3-18,20,22-33,35,37-39,44H2,1-2H3,(H,46,47)(H,48,49)/b21-19-,36-34-/t40-,41+/m1/s1
C43H82NO9P788.08621100
113376722

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C43H82NO9P/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/h16,18,34,36,40-41H,3-15,17,19-33,35,37-39,44H2,1-2H3,(H,46,47)(H,48,49)/b18-16-,36-34-/t40-,41+/m1/s1
C43H82NO9P788.08621100
117218125

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H82NO9P/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/h23,27,39-41H,3-22,24-26,28-38,44H2,1-2H3,(H,47,48)/b27-23-/t39-,40?,41?/m1/s1
C43H82NO9P788.08621100
117218126

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H82NO9P/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/h23,27,39-41H,3-22,24-26,28-38,44H2,1-2H3,(H,47,48)/b27-23-/t39-,40?,41?/m1/s1
C43H82NO9P788.08621100
117218127

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H82NO9P/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/h24,28,39-41H,3-23,25-27,29-38,44H2,1-2H3,(H,47,48)/b28-24-/t39-,40?,41?/m1/s1
C43H82NO9P788.08621100
117218128

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C43H82NO9P/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/h24,28,39-41H,3-23,25-27,29-38,44H2,1-2H3,(H,47,48)/b28-24-/t39-,40?,41?/m1/s1
C43H82NO9P788.08621100

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