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 9 results

Search term: KCQHQCDHFVGNMK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
52085570

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/b21-14+/t17-,18+,19+,20-,23-,24?,25+/m0/s1
C25H34O6430.5339151500
71117623

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/b21-14+/t17?,18-,19-,20+,23+,24?,25-/m1/s1
C25H34O6430.533981000
59760307

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/b21-14+/t17-,18+,19+,20-,23-,24?,25-/m0/s1
C25H34O6430.53397700
77498454

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/b21-14-/t17-,18+,19+,20-,23-,24?,25-/m0/s1
C25H34O6430.53394600
71045515

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/b21-14-/t17-,18+,19+,20-,23-,24?,25+/m0/s1
C25H34O6430.53393200
111313953

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/b21-14-/t17-,18+,19+,20-,23-,24?,25-/m1/s1
C25H34O6430.53391100
114391331

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/t17-,18-,19+,20+,23-,24?,25-/m0/s1
C25H34O6430.53391100
114553689

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/b21-14+/t17?,18-,19-,20+,23+,24?,25-/m0/s1
C25H34O6430.53391100
128946732

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C25H34O6/c1-23-11-9-18-17-8-6-16(26)13-15(17)5-7-19(18)20(23)10-12-25(23)21(14-22(27)28-3)30-24(2,29-4)31-25/h13-14,17-20H,5-12H2,1-4H3/t17?,18-,19-,20+,23+,24?,25-/m1/s1
C25H34O6430.53391100

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