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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 11 results

Search term: C38H77N2O6P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28532779

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H77N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-37(41)36(35-46-47(43,44)45-34-33-40(3,4)5)39-38(42)32-30-28-26-24-22-19-17-15-13-11-9-7-2/h29,31,36-37,41H,6-28,30,32-35H2,1-5H3,(H-,39,42,43,44)/b31-29+/t36-,37+/m0/s1
C38H77N2O6P689.00154500
64808511

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H77N2O6P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-38(42)39-36(35-46-47(43,44)45-34-33-40(3,4)5)37(41)31-29-27-25-23-21-17-15-13-11-9-7-2/h29,31,36-37,41H,6-28,30,32-35H2,1-5H3,(H-,39,42,43,44)/b31-29+/t36-,37+/m0/s1
C38H77N2O6P689.00153400
7826145

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H77N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-38(42)40-36(35-46-47(43,44)45-34-33-39)37(41)31-29-27-25-23-12-10-8-6-4-2/h29,31,36-37,41H,3-28,30,32-35,39H2,1-2H3,(H,40,42)(H,43,44)/b31-29+/t36-,37+/m0/s1
C38H77N2O6P689.00153400
9939902

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H77N2O6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(42)40-36(35-46-47(43,44)45-34-33-39)37(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,36-37,41H,3-28,30,32-35,39H2,1-2H3,(H,40,42)(H,43,44)/b31-29-/t36-,37+/m0/s1
C38H77N2O6P689.00152100
19756290

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C38H77N2O6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(42)40-36(35-46-47(43,44)45-34-33-39)37(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,36-37,41H,3-28,30,32-35,39H2,1-2H3,(H,40,42)(H,43,44)/b31-29+
C38H77N2O6P689.00152200
28533342

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H77N2O6P/c1-7-8-9-10-11-12-13-14-15-19-22-25-28-31-38(42)39-36(34-46-47(43,44)45-33-32-40(4,5)6)37(41)30-27-24-21-18-16-17-20-23-26-29-35(2)3/h27,30,35-37,41H,7-26,28-29,31-34H2,1-6H3,(H-,39,42,43,44)/b30-27+/t36-,37+/m0/s1
C38H77N2O6P689.00152500
98645285

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H77N2O6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(42)40-36(35-46-47(43,44)45-34-33-39)37(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,36-37,41H,3-28,30,32-35,39H2,1-2H3,(H,40,42)(H,43,44)/b31-29+/t36-,37+/m0/s1
C38H77N2O6P689.00152200
113381573

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H77N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-38(42)40-36(35-46-47(43,44)45-34-33-39)37(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h29,31,36-37,41H,3-28,30,32-35,39H2,1-2H3,(H,40,42)(H,43,44)/b31-29+/t36-,37+/m0/s1
C38H77N2O6P689.00151100
123960346

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C38H77N2O6P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(42)40-36(35-46-47(43,44)45-34-33-39)37(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,36-37,41H,3-28,30,32-35,39H2,1-2H3,(H,40,42)(H,43,44)
C38H77N2O6P689.00151100
75320543

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H77N2O6P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-38(42)39-36(35-46-47(43,44)45-34-33-40(3,4)5)37(41)31-29-27-25-23-21-17-15-13-11-9-7-2/h13,15,36-37,41H,6-12,14,16-35H2,1-5H3,(H-,39,42,43,44)/b15-13+/t36-,37+/m0/s1
C38H77N2O6P689.00151100
9356626

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C38H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37(41)36(34-45-47(43,44)46-35-40(3,4)5)39-38(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,36-37,41H,6-29,31,33-35H2,1-5H3,(H-,39,42,43,44)/b32-30+/t36-,37+/m0/s1
C38H77N2O6P689.00151100

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