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 6 results

Search term: C46H80NO9P (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
113376648

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(48)56-43(41-54-57(51,52)55-42-44(47)46(49)50)40-53-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,43-44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-42,47H2,1-2H3,(H,49,50)(H,51,52)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-/t43-,44+/m1/s1
C46H80NO9P822.10251100
113376736

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C46H80NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-53-40-43(41-54-57(51,52)55-42-44(47)46(49)50)56-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,24,26,30,32,37,39,43-44H,3-5,7,9-11,13,15-17,19,21-23,25,27-29,31,33-36,38,40-42,47H2,1-2H3,(H,49,50)(H,51,52)/b8-6-,14-12-,20-18-,26-24-,32-30-,39-37-/t43-,44+/m1/s1
C46H80NO9P822.10251100
128425920

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C46H80NO9P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-24-28-37-53-39-43(40-55-57(51,52)54-38-36-47(3,4)5)56-46(50)31-27-23-22-26-29-41-32-35-45(49)44(41)34-33-42(48)30-25-9-7-2/h13-14,22,26,28,32-35,37,41-44,48H,6-12,15-21,23-25,27,29-31,36,38-40H2,1-5H3/b14-13-,26-22-,34-33+,37-28u/t41-,42-,43+,44+/m0/s1
C46H80NO9P822.10251100
128425921

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C46H80NO9P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-24-28-37-53-43(40-56-57(51,52)55-38-36-47(3,4)5)39-54-46(50)31-27-23-22-26-29-41-32-35-45(49)44(41)34-33-42(48)30-25-9-7-2/h13-14,22,26,28,32-35,37,41-44,48H,6-12,15-21,23-25,27,29-31,36,38-40H2,1-5H3/b14-13-,26-22-,34-33+,37-28u/t41-,42-,43+,44+/m0/s1
C46H80NO9P822.10251100
128425938

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C46H80NO9P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-24-28-37-53-39-43(40-55-57(51,52)54-38-36-47(3,4)5)56-46(50)31-27-23-22-26-29-41-32-35-45(49)44(41)34-33-42(48)30-25-9-7-2/h15-16,22,26,28,32-35,37,41-44,48H,6-14,17-21,23-25,27,29-31,36,38-40H2,1-5H3/b16-15-,26-22-,34-33+,37-28u/t41-,42-,43+,44+/m0/s1
C46H80NO9P822.10251100
128425939

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C46H80NO9P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-24-28-37-53-43(40-56-57(51,52)55-38-36-47(3,4)5)39-54-46(50)31-27-23-22-26-29-41-32-35-45(49)44(41)34-33-42(48)30-25-9-7-2/h15-16,22,26,28,32-35,37,41-44,48H,6-14,17-21,23-25,27,29-31,36,38-40H2,1-5H3/b16-15-,26-22-,34-33+,37-28u/t41-,42-,43+,44+/m0/s1
C46H80NO9P822.10251100

Advertisement