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: JBZDSEGJHOGTFE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
57262502

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H34O9/c1-14(10-11-19-16(3)13-20(34-6)18(5)17(19)4)8-7-9-15(2)12-21(28)35-27-24(31)22(29)23(30)25(36-27)26(32)33/h7-13,22-25,27,29-31H,1-6H3,(H,32,33)/b9-7+,11-10+,14-8+,15-12+/t22-,23-,24+,25-,27+/m0/s1
C27H34O9502.55356500
57546329

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H34O9/c1-14(10-11-19-16(3)13-20(34-6)18(5)17(19)4)8-7-9-15(2)12-21(28)35-27-24(31)22(29)23(30)25(36-27)26(32)33/h7-13,22-25,27,29-31H,1-6H3,(H,32,33)/b9-7+,11-10+,14-8+,15-12-/t22-,23-,24+,25-,27+/m0/s1
C27H34O9502.55354200
107442178

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C27H34O9/c1-14(10-11-19-16(3)13-20(34-6)18(5)17(19)4)8-7-9-15(2)12-21(28)35-27-24(31)22(29)23(30)25(36-27)26(32)33/h7-13,22-25,27,29-31H,1-6H3,(H,32,33)/b9-7+,11-10+,14-8+,15-12-/t22-,23-,24+,25-,27+/m0/s1/i6D3
C27H31D3O9505.57192200
107442176

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C27H34O9/c1-14(10-11-19-16(3)13-20(34-6)18(5)17(19)4)8-7-9-15(2)12-21(28)35-27-24(31)22(29)23(30)25(36-27)26(32)33/h7-13,22-25,27,29-31H,1-6H3,(H,32,33)/b9-7+,11-10+,14-8+,15-12+/t22-,23-,24+,25-,27+/m0/s1/i6D3
C27H31D3O9505.57191100

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