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 5 results

Search term: AEAGZTSEFUFUKN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8453528

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h8-9,11,13,15,17,19,22-23,25,29,31H,10,12,14H2,1-7H3/b9-8+,16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
C27H39NO5S489.66734300
8360372

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h8-9,11,13,15,17,19,22-23,25,29,31H,10,12,14H2,1-7H3/b9-8+,16-11-,18-13-/t17-,19+,22-,23-,25-/m0/s1
C27H39NO5S489.66732100
58133900

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h8-9,11,13,15,17,19,22-23,25,29,31H,10,12,14H2,1-7H3/b9-8-,16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
C27H39NO5S489.66732200
558769

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h8-9,11,13,15,17,19,22-23,25,29,31H,10,12,14H2,1-7H3/b9-8+,16-11-,18-13+/t17-,19+,22+,23-,25-/m0/s1
C27H39NO5S489.66731100
24534511

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h8-9,11,13,15,17,19,22-23,25,29,31H,10,12,14H2,1-7H3/b9-8+,16-11-,18-13+/t17-,19+,22?,23-,25-/m0/s1
C27H39NO5S489.66731100

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