Matches any text strings used to describe a molecule.
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 10 results

Search term: C39H77N2O6P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34448430

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,30,32,37-38,42H,6-16,18,20-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b19-17-,32-30+/t37-,38+/m0/s1
C39H77N2O6P701.01224500
58163827

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-33-39(43)41-37(36-47-48(44,45)46-35-34-40)38(42)32-30-28-26-24-12-10-8-6-4-2/h26,28,30,32,37-38,42H,3-25,27,29,31,33-36,40H2,1-2H3,(H,41,43)(H,44,45)/b28-26+,32-30+/t37-,38+/m0/s1
C39H77N2O6P701.01224500
8615145

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C39H77N2O6P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(42)45-35-37(36-46-48(44)40(3)33-34-41(48)4)47-39(43)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37H,5-36H2,1-4H3
C39H77N2O6P701.01222100
113381549

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h10,12,30,32,37-38,42H,6-9,11,13-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b12-10-,32-30+/t37-,38+/m0/s1
C39H77N2O6P701.01222200
113381594

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-39(43)41-37(36-47-48(44,45)46-35-34-40)38(42)32-30-28-26-24-14-12-10-8-6-4-2/h26,28,30,32,37-38,42H,3-25,27,29,31,33-36,40H2,1-2H3,(H,41,43)(H,44,45)/b28-26+,32-30+/t37-,38+/m0/s1
C39H77N2O6P701.01221100
113381606

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-39(43)41-37(36-47-48(44,45)46-35-34-40)38(42)32-30-28-26-24-22-14-12-10-8-6-4-2/h26,28,30,32,37-38,42H,3-25,27,29,31,33-36,40H2,1-2H3,(H,41,43)(H,44,45)/b28-26+,32-30+/t37-,38+/m0/s1
C39H77N2O6P701.01221100
24608397

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h22,24,30,32,37-38,42H,6-21,23,25-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b24-22+,32-30+/t37-,38+/m1/s1
C39H77N2O6P701.012212400
71044201

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C39H77N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h22,24,30,32,37-38,42H,6-21,23,25-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b24-22+,32-30+/t37?,38-/m0/s1
C39H77N2O6P701.012211200
75320545

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77N2O6P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-39(43)40-37(36-47-48(44,45)46-35-34-41(3,4)5)38(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13,15-16,18,37-38,42H,6-12,14,17,19-36H2,1-5H3,(H-,40,43,44,45)/b15-13+,18-16+/t37-,38+/m0/s1
C39H77N2O6P701.01221100
113381514

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C39H77N2O6P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-39(43)40-37(36-47-48(44,45)46-35-34-41(3,4)5)38(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h19-20,30,32,37-38,42H,6-18,21-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b20-19-,32-30+/t37-,38+/m0/s1
C39H77N2O6P701.01221100

Advertisement