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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 74 results

Search term: C42H78NO8P (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24766646

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,40H,6-7,9,11-13,15,17-19,22-39H2,1-5H3/b10-8-,16-14-,21-20-/t40-/m1/s1
C42H78NO8P756.0444171800
24766675

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,40H,6-13,15,18,22-39H2,1-5H3/b16-14-,19-17-,21-20-/t40-/m1/s1
C42H78NO8P756.0444141500
24766645

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,25,27,40H,6-13,15,17-19,22-24,26,28-39H2,1-5H3/b16-14-,21-20-,27-25-/t40-/m1/s1
C42H78NO8P756.0444141500
24766797

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16-17,19-21,40H,6-13,15,18,22-39H2,1-5H3/b16-14-,19-17-,21-20-/t40-/m1/s1
C42H78NO8P756.0444131300
24766828

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h14,16,20-21,24,26,40H,6-13,15,17-19,22-23,25,27-39H2,1-5H3/b16-14-,21-20-,26-24-/t40-/m1/s1
C42H78NO8P756.0444131300
24766861

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,40H,6-7,9,11-13,15,17-19,22-39H2,1-5H3/b10-8-,16-14-,21-20-/t40-/m1/s1
C42H78NO8P756.0444131300
24766990

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h13-16,19-20,40H,6-12,17-18,21-39H2,1-5H3/b15-13-,16-14-,20-19-/t40-/m1/s1
C42H78NO8P756.0444131300
24766558

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,40H,6-13,15,17-18,21,24-39H2,1-5H3/b16-14-,20-19-,23-22-/t40-/m1/s1
C42H78NO8P756.0444131300
24766589

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h13-16,19-20,40H,6-12,17-18,21-39H2,1-5H3/b15-13-,16-14-,20-19-/t40-/m1/s1
C42H78NO8P756.0444131300
24767054

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h14,16,19-20,22-23,40H,6-13,15,17-18,21,24-39H2,1-5H3/b16-14-,20-19-,23-22-/t40-/m1/s1
C42H78NO8P756.0444131300
24766557

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h19-20,22-23,27,29,40H,6-18,21,24-26,28,30-39H2,1-5H3/b20-19-,23-22-,29-27-/t40-/m1/s1
C42H78NO8P756.0444121200
24767021

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h19-20,22-23,26,28,40H,6-18,21,24-25,27,29-39H2,1-5H3/b20-19-,23-22-,28-26-/t40-/m1/s1
C42H78NO8P756.0444121200
8946708

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H78NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,40H,6-7,9,11-13,15,17-19,22-39H2,1-5H3/b10-8-,16-14-,21-20-
C42H78NO8P756.04443300
74850268

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H78NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-25-22-17-15-13-11-9-7-5-2/h12,14,18-19,21,23,40,43H,4-11,13,15-17,20,22,24-39H2,1-3H3,(H,46,47)/b14-12-,19-18-,23-21-
C42H78NO8P756.04443300
74850435

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H78NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43-3)51-42(45)35-33-31-29-27-24-15-13-11-9-7-5-2/h11-14,17-18,40,43H,4-10,15-16,19-39H2,1-3H3,(H,46,47)/b13-11-,14-12-,18-17-
C42H78NO8P756.04443300
74850714

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H78NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3)4)38-48-41(44)34-32-30-28-26-24-18-16-14-12-10-8-6-2/h19-20,22-23,27,29,40H,5-18,21,24-26,28,30-39H2,1-4H3,(H,46,47)/b20-19-,23-22-,29-27-
C42H78NO8P756.04443300
74850715

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H78NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3)4)38-48-41(44)34-32-30-28-26-24-18-16-14-12-10-8-6-2/h13,15,19-20,22-23,40H,5-12,14,16-18,21,24-39H2,1-4H3,(H,46,47)/b15-13-,20-19-,23-22-
C42H78NO8P756.04443300
74851057

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H78NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3)4)51-42(45)35-33-31-29-27-24-18-16-14-12-10-8-6-2/h19-20,22-23,26,28,40H,5-18,21,24-25,27,29-39H2,1-4H3,(H,46,47)/b20-19-,23-22-,28-26-
C42H78NO8P756.04443300
74851085

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C42H78NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3)4)51-42(45)35-33-31-29-27-24-18-16-14-12-10-8-6-2/h13,15,19-20,22-23,40H,5-12,14,16-18,21,24-39H2,1-4H3,(H,46,47)/b15-13-,20-19-,23-22-
C42H78NO8P756.04443300
76963442

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C42H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,40H,3-5,7,9-11,13,15-17,19,21-39,43H2,1-2H3,(H,46,47)/b8-6-,14-12-,20-18-/t40-/m1/s1
C42H78NO8P756.04443400
1234

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