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 7 results

Search term: C44H60O7 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8755960
InChI=1/C44H60O7/c1-9-14-19-45-21-23-47-31-36-25-33(6)27-38(42(36)49-16-11-3)40-29-35(8)30-41(44(40)51-18-13-5)39-28-34(7)26-37(43(39)50-17-12-4)32-48-24-22-46-20-15-10-2/h11-13,25-30H,3-5,9-10,14-24,31-32H2,1-2,6-8H3
C44H60O7700.9432100
9608849

Double-bond stereo

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C44H60O7/c1-10-27(2)38(49)51-36-37(50-35(48)19-16-28-14-12-11-13-15-28)44(26-45)30(24-39(36,3)4)29-17-18-32-41(7)22-21-33(46)40(5,6)31(41)20-23-42(32,8)43(29,9)25-34(44)47/h10-17,19,26,30-34,36-37,46-47H,18,20-25H2,1-9H3/b19-16+,27-10-/t30?,31?,32-,33+,34-,36+,37+,41+,42-,43-,44+/m1/s1
C44H60O7700.9432100
9695225

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C44H60O7/c1-29(19-15-20-31(3)23-24-39-35(7)42(50-37(9)47)41(49-36(8)46)28-43(39,10)11)17-13-14-18-30(2)21-16-22-32(4)40(48)27-44(12)33(5)25-38(51-44)26-34(6)45/h13-24,33,38,41-42H,25-28H2,1-12H3/b14-13+,19-15+,21-16+,24-23+,29-17+,30-18+,31-20+,32-22+/t33?,38?,41-,42+,44?/m0/s1
C44H60O7700.9429999999982100
24607918

Double-bond stereo

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C44H60O7/c1-30(19-15-20-32(3)23-24-39-40(7,8)25-36(49-34(5)45)27-42(39,11)48)17-13-14-18-31(2)21-16-22-33(4)38(47)29-44-41(9,10)26-37(50-35(6)46)28-43(44,12)51-44/h13-23,36-37,48H,25-29H2,1-12H3/b14-13+,19-15+,21-16+,30-17+,31-18+,32-20+,33-22+/t24?,36-,37-,42+,43+,44-/m0/s1
C44H60O7700.9432200
115267555

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C44H60O7/c1-30(19-15-20-32(3)23-24-39-40(7,8)25-36(49-34(5)45)27-42(39,11)48)17-13-14-18-31(2)21-16-22-33(4)38(47)29-44-41(9,10)26-37(50-35(6)46)28-43(44,12)51-44/h13-23,36-37,48H,25-29H2,1-12H3/b14-13+,19-15+,21-16+,30-17+,31-18+,32-20+,33-22+/t24-,36-,37-,42+,43+,44-/m0/s1
C44H60O7700.9431100
23244593

Double-bond stereo

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C44H60O7/c1-10-27(2)38(49)51-36-37(50-35(48)19-16-28-14-12-11-13-15-28)44(26-45)30(24-39(36,3)4)29-17-18-32-41(7)22-21-33(46)40(5,6)31(41)20-23-42(32,8)43(29,9)25-34(44)47/h10-17,19,26,30-34,36-37,46-47H,18,20-25H2,1-9H3/b19-16-,27-10-/t30?,31?,32?,33-,34+,36-,37-,41-,42+,43+,44-/m0/s1
C44H60O7700.9431100
23244595

Double-bond stereo

8 of 11 defined stereocentres - 8/11 defined
InChI=1/C44H60O7/c1-10-27(2)38(49)51-36-37(50-35(48)19-16-28-14-12-11-13-15-28)44(26-45)30(24-39(36,3)4)29-17-18-32-41(7)22-21-33(46)40(5,6)31(41)20-23-42(32,8)43(29,9)25-34(44)47/h10-17,19,26,30-34,36-37,46-47H,18,20-25H2,1-9H3/b19-16+,27-10-/t30?,31?,32?,33-,34+,36-,37-,41-,42+,43+,44-/m0/s1
C44H60O7700.9431100

Advertisement