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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 53 results

Search term: C40H74NO8P (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24766552

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h8,10,14,16,19-20,38H,6-7,9,11-13,15,17-18,21-37H2,1-5H3/b10-8-,16-14-,20-19-/t38-/m1/s1
C40H74NO8P727.9912131400
24766583

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13-16,19-20,38H,6-12,17-18,21-37H2,1-5H3/b15-13-,16-14-,20-19-/t38-/m1/s1
C40H74NO8P727.9912121200
24766794

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13-16,19-20,38H,6-12,17-18,21-37H2,1-5H3/b15-13-,16-14-,20-19-/t38-/m1/s1
C40H74NO8P727.9912121200
24766825

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h14,16,19-20,23-24,38H,6-13,15,17-18,21-22,25-37H2,1-5H3/b16-14-,20-19-,24-23-/t38-/m1/s1
C40H74NO8P727.9912121200
24766858

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h8,10,14,16,19-20,38H,6-7,9,11-13,15,17-18,21-37H2,1-5H3/b10-8-,16-14-,20-19-/t38-/m1/s1
C40H74NO8P727.9912121200
24766551

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H74NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h14,16,19-20,23,25,38H,6-13,15,17-18,21-22,24,26-37H2,1-5H3/b16-14-,20-19-,25-23-/t38-/m1/s1
C40H74NO8P727.9912121200
24768405

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,38H,3-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-/t38-/m1/s1
C40H74NO8P727.99126600
24768802

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,38H,3-10,12,14-16,19,22-37,41H2,1-2H3,(H,44,45)/b13-11-,18-17-,21-20-/t38-/m1/s1
C40H74NO8P727.99126600
24768769

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h17-18,20-21,24,26,38H,3-16,19,22-23,25,27-37,41H2,1-2H3,(H,44,45)/b18-17-,21-20-,26-24-/t38-/m1/s1
C40H74NO8P727.99125500
24768404

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C40H74NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h17-18,20-21,25,27,38H,3-16,19,22-24,26,28-37,41H2,1-2H3,(H,44,45)/b18-17-,21-20-,27-25-/t38-/m1/s1
C40H74NO8P727.99125500
74849917

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H74NO8P/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41-3)36-46-39(42)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h6,8,12,14,18-19,38,41H,4-5,7,9-11,13,15-17,20-37H2,1-3H3,(H,44,45)/b8-6-,14-12-,19-18-
C40H74NO8P727.99123300
74849938

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H74NO8P/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41-3)36-46-39(42)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h12,14-15,17-19,38,41H,4-11,13,16,20-37H2,1-3H3,(H,44,45)/b14-12-,17-15-,19-18-
C40H74NO8P727.99123300
74850041

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H74NO8P/c1-4-6-8-10-12-14-16-18-19-21-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41-3)49-40(43)33-31-29-27-25-23-20-17-15-13-11-9-7-5-2/h12,14-15,17-19,38,41H,4-11,13,16,20-37H2,1-3H3,(H,44,45)/b14-12-,17-15-,19-18-
C40H74NO8P727.99123300
74850068

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H74NO8P/c1-4-6-8-10-12-14-16-18-19-21-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41-3)49-40(43)33-31-29-27-25-23-20-17-15-13-11-9-7-5-2/h12,14,18-19,22,24,38,41H,4-11,13,15-17,20-21,23,25-37H2,1-3H3,(H,44,45)/b14-12-,19-18-,24-22-
C40H74NO8P727.99123300
74850096

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H74NO8P/c1-4-6-8-10-12-14-16-18-19-21-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41-3)49-40(43)33-31-29-27-25-23-20-17-15-13-11-9-7-5-2/h6,8,12,14,18-19,38,41H,4-5,7,9-11,13,15-17,20-37H2,1-3H3,(H,44,45)/b8-6-,14-12-,19-18-
C40H74NO8P727.99123300
74850209

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H74NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41-3)49-40(43)33-31-29-27-25-22-15-13-11-9-7-5-2/h11-14,17-18,38,41H,4-10,15-16,19-37H2,1-3H3,(H,44,45)/b13-11-,14-12-,18-17-
C40H74NO8P727.99123300
74850237

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H74NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41-3)49-40(43)33-31-29-27-25-22-15-13-11-9-7-5-2/h17-18,20-21,24,26,38,41H,4-16,19,22-23,25,27-37H2,1-3H3,(H,44,45)/b18-17-,21-20-,26-24-
C40H74NO8P727.99123300
74850265

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H74NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41-3)49-40(43)33-31-29-27-25-22-15-13-11-9-7-5-2/h12,14,17-18,20-21,38,41H,4-11,13,15-16,19,22-37H2,1-3H3,(H,44,45)/b14-12-,18-17-,21-20-
C40H74NO8P727.99123300
74850709

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H74NO8P/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3)4)36-46-39(42)32-30-28-26-24-22-18-16-14-12-10-8-6-2/h13,15,19-20,23,25,38H,5-12,14,16-18,21-22,24,26-37H2,1-4H3,(H,44,45)/b15-13-,20-19-,25-23-
C40H74NO8P727.99123300
74850710

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C40H74NO8P/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3)4)36-46-39(42)32-30-28-26-24-22-18-16-14-12-10-8-6-2/h7,9,13,15,19-20,38H,5-6,8,10-12,14,16-18,21-37H2,1-4H3,(H,44,45)/b9-7-,15-13-,20-19-
C40H74NO8P727.99123300
123

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