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 4 results

Search term: C28H35FN4O8 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4978322

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C28H35FN4O8/c1-5-39-24(35)13-11-20(10-12-23(30)34)31-27(37)22(15-18-6-8-19(29)9-7-18)40-28(38)25(16(2)3)32-26(36)21-14-17(4)41-33-21/h6-9,11,13-14,16,20,22,25H,5,10,12,15H2,1-4H3,(H2,30,34)(H,31,37)(H,32,36)/b13-11+/t20-,22-,25-/m0/s1
C28H35FN4O8574.59794400
28512453

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C28H35FN4O8/c1-27(2,3)32-10-16(34)31-9-12-8-15(29)13-6-11-7-14-20(33(4)5)23(37)19(26(30)40)25(39)28(14,41)24(38)17(11)22(36)18(13)21(12)35/h8,11,14,20,32,35,37-38,41H,6-7,9-10H2,1-5H3,(H2,30,40)(H,31,34)/t11-,14-,20-,28-/m0/s1
C28H35FN4O8574.59792200
107445658

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C28H35FN4O8/c1-5-32(6-2)9-10-33(27-23(36)21(34)22(35)24(41-27)28(39)40)26(38)20-13(3)19(30-14(20)4)12-17-16-11-15(29)7-8-18(16)31-25(17)37/h7-8,11-12,21-24,27,30,34-36H,5-6,9-10H2,1-4H3,(H,31,37)(H,39,40)/b17-12-/t21?,22-,23+,24-,27+/m0/s1
C28H35FN4O8574.59791100
111312875

Double-bond stereo

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C28H35FN4O8/c1-5-32(6-2)9-10-33(27-23(36)21(34)22(35)24(41-27)28(39)40)26(38)20-13(3)19(30-14(20)4)12-17-16-11-15(29)7-8-18(16)31-25(17)37/h7-8,11-12,14,21-24,27,34-36H,5-6,9-10H2,1-4H3,(H,31,37)(H,39,40)/b17-12+/t14?,21?,22-,23+,24-,27+/m0/s1
C28H35FN4O8574.59791100

Advertisement