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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
Additional Filters

Found 23 results

Search term: C50H80NO8P (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24767178

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27-28,30-31,33-34,36,48H,6-7,12-13,18-19,24,26,29,32,35,37-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-/t48-/m1/s1
C50H80NO8P854.14597700
24767113

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-7,9,11-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
C50H80NO8P854.14596600
24767400

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,35-38,48H,6-7,9,11-13,18-19,24,26,28,33-34,39-47H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1
C50H80NO8P854.14596600
24767401

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,36,38,48H,6-7,12-13,18-19,24,26,28,33-35,37,39-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,38-36-/t48-/m1/s1
C50H80NO8P854.14595500
24767146

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27-28,30-31,33,37,39,48H,6-7,12-13,18-19,24,26,29,32,34-36,38,40-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,39-37-/t48-/m1/s1
C50H80NO8P854.14595500
24767177

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-8,10,12-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,30-28-,33-31-,36-34-,39-37-/t48-/m1/s1
C50H80NO8P854.14595500
24767336

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27,29-32,35-38,48H,6-8,10,12-13,18-19,24,26,28,33-34,39-47H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-,38-36-/t48-/m1/s1
C50H80NO8P854.14595500
24767369

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,35,37,48H,6-7,12-13,18-19,24,26,28,33-34,36,38-47H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,27-25-,31-29-,32-30-,37-35-/t48-/m1/s1
C50H80NO8P854.14595500
74850512

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C50H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51-3)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h12-15,18-21,24-27,30-33,36-39,48,51H,4-11,16-17,22-23,28-29,34-35,40-47H2,1-3H3,(H,54,55)/b14-12-,15-13-,20-18-,21-19-,26-24-,27-25-,32-30-,33-31-,38-36-,39-37-
C50H80NO8P854.14593300
74850513

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C50H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51-3)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h7,9,12-15,18-21,24-27,30-33,36,38,48,51H,4-6,8,10-11,16-17,22-23,28-29,34-35,37,39-47H2,1-3H3,(H,54,55)/b9-7-,14-12-,15-13-,20-18-,21-19-,26-24-,27-25-,32-30-,33-31-,38-36-
C50H80NO8P854.14593300
74850540

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C50H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51-3)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6,8,12-15,18-21,24-27,30-33,37,39,48,51H,4-5,7,9-11,16-17,22-23,28-29,34-36,38,40-47H2,1-3H3,(H,54,55)/b8-6-,14-12-,15-13-,20-18-,21-19-,26-24-,27-25-,32-30-,33-31-,39-37-
C50H80NO8P854.14593300
74850541

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C50H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51-3)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6-9,12-15,18-21,24-27,30-33,48,51H,4-5,10-11,16-17,22-23,28-29,34-47H2,1-3H3,(H,54,55)/b8-6-,9-7-,14-12-,15-13-,20-18-,21-19-,26-24-,27-25-,32-30-,33-31-
C50H80NO8P854.14593300
74850566

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C50H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51-3)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h6,8,12-15,18-21,24-27,30-33,36,38,48,51H,4-5,7,9-11,16-17,22-23,28-29,34-35,37,39-47H2,1-3H3,(H,54,55)/b8-6-,14-12-,15-13-,20-18-,21-19-,26-24-,27-25-,32-30-,33-31-,38-36-
C50H80NO8P854.14593300
74851487

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C50H80NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51-3)59-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h7,9,12-15,18-21,24-27,30-33,37,39,48,51H,4-6,8,10-11,16-17,22-23,28-29,34-36,38,40-47H2,1-3H3,(H,54,55)/b9-7-,14-12-,15-13-,20-18-,21-19-,26-24-,27-25-,32-30-,33-31-,39-37-
C50H80NO8P854.14593300
59698265

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27-28,30-31,33-34,36-37,39,48H,6-8,10,12-13,18-19,24,26,29,32,35,38,40-47H2,1-5H3/b11-9+,16-14+,17-15+,22-20+,23-21+,27-25+,30-28+,33-31+,36-34+,39-37+/t48-/m1/s1
C50H80NO8P854.14591100
59698266

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27-28,30-31,33-34,36,48H,6-7,12-13,18-19,24,26,29,32,35,37-47H2,1-5H3/b10-8+,11-9+,16-14+,17-15+,22-20+,23-21+,27-25+,30-28+,33-31+,36-34+/t48-/m1/s1
C50H80NO8P854.14591100
59698370

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-23,25,27,29-32,35-38,48H,6-8,10,12-13,18-19,24,26,28,33-34,39-47H2,1-5H3/b11-9+,16-14+,17-15+,22-20+,23-21+,27-25+,31-29+,32-30+,37-35+,38-36+/t48-/m1/s1
C50H80NO8P854.14591100
59698401

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,35,37,48H,6-7,12-13,18-19,24,26,28,33-34,36,38-47H2,1-5H3/b10-8+,11-9+,16-14+,17-15+,22-20+,23-21+,27-25+,31-29+,32-30+,37-35+/t48-/m1/s1
C50H80NO8P854.14591100
59698431

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27,29-32,35-38,48H,6-7,9,11-13,18-19,24,26,28,33-34,39-47H2,1-5H3/b10-8+,16-14+,17-15+,22-20+,23-21+,27-25+,31-29+,32-30+,37-35+,38-36+/t48-/m1/s1
C50H80NO8P854.14591100
59698432

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C50H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,25,27,29-32,36,38,48H,6-7,12-13,18-19,24,26,28,33-35,37,39-47H2,1-5H3/b10-8+,11-9+,16-14+,17-15+,22-20+,23-21+,27-25+,31-29+,32-30+,38-36+/t48-/m1/s1
C50H80NO8P854.14591100
12

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