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: XQVPUYVJDCWVQR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8750851

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H40O6/c1-14(5-8-23(30)31)18-6-7-19-24-20(13-22(29)26(18,19)4)25(3)10-9-17(28)11-16(25)12-21(24)32-15(2)27/h14,16-21,24,28H,5-13H2,1-4H3,(H,30,31)/t14-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
C26H40O6448.59224200
22906538

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C26H40O6/c1-14(5-8-23(30)31)18-6-7-19-24-20(13-22(29)26(18,19)4)25(3)10-9-17(28)11-16(25)12-21(24)32-15(2)27/h14,16-21,24,28H,5-13H2,1-4H3,(H,30,31)/t14?,16-,17+,18+,19-,20-,21+,24-,25-,26+/m0/s1
C26H40O6448.59224200
3790128

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C26H40O6/c1-14(5-8-23(30)31)18-6-7-19-24-20(13-22(29)26(18,19)4)25(3)10-9-17(28)11-16(25)12-21(24)32-15(2)27/h14,16-21,24,28H,5-13H2,1-4H3,(H,30,31)
C26H40O6448.59222100
10118982

Charge

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H40O6/c1-14(5-8-23(30)31)18-6-7-19-24-20(13-22(29)26(18,19)4)25(3)10-9-17(28)11-16(25)12-21(24)32-15(2)27/h14,16-21,24,28H,5-13H2,1-4H3,(H,30,31)/p-1/t14-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
C26H39O6447.58481100

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