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: XAYAKDZVINDZGB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5294026

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/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8+,16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
C27H39NO5S489.6673131300
8475488

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/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8-,16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
C27H39NO5S489.66736500
8566281

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/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8+,16-11-,18-13+/t17-,19+,22+,23-,25-/m0/s1
C27H39NO5S489.66733100
8498722

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/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8+,16-11+,18-13+/t17-,19+,22?,23-,25-/m0/s1
C27H39NO5S489.66732100
88297856

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/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8-,16-11-,18-13+/t17-,19+,22-,23-,25+/m0/s1
C27H39NO5S489.66732100
115284767

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/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8+,16-11+,18-13+/t17-,19+,22-,23-,25-/m0/s1
C27H39NO5S489.66732200
13102275

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/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8-,16-11-,18-13u/t17-,19-,22+,23+,25-/m1/s1
C27H39NO5S489.66731100
17225971

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/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8+,16-11-,18-13+/t17-,19+,22-,23?,25-/m0/s1
C27H39NO5S489.66731100
17621685

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/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8+,16-11-,18-13u/t17-,19+,22-,23-,25-/m0/s1
C27H39NO5S489.66731100

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