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: JVRIKPRMMKCTQA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17462167

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C25H41NO7/c1-2-3-6-9-19(27)14-12-18-13-16-22(28)20(18)10-7-4-5-8-11-23(29)26-21(25(32)33)15-17-24(30)31/h12,14,18-21,27H,2-11,13,15-17H2,1H3,(H,26,29)(H,30,31)(H,32,33)/b14-12+/t18-,19-,20+,21?/m0/s1
C25H41NO7467.595511700
62232475

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C25H41NO7/c1-2-3-6-9-19(27)14-12-18-13-16-22(28)20(18)10-7-4-5-8-11-23(29)26-21(25(32)33)15-17-24(30)31/h12,14,18-21,27H,2-11,13,15-17H2,1H3,(H,26,29)(H,30,31)(H,32,33)/t18-,19-,20+,21?/m0/s1
C25H41NO7467.59552100
3035897

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C25H41NO7/c1-2-3-6-9-19(27)14-12-18-13-16-22(28)20(18)10-7-4-5-8-11-23(29)26-21(25(32)33)15-17-24(30)31/h12,14,18-21,27H,2-11,13,15-17H2,1H3,(H,26,29)(H,30,31)(H,32,33)
C25H41NO7467.595542100
113598577

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C25H41NO7/c1-2-3-6-9-19(27)14-12-18-13-16-22(28)20(18)10-7-4-5-8-11-23(29)26-21(25(32)33)15-17-24(30)31/h12,14,18-21,27H,2-11,13,15-17H2,1H3,(H,26,29)(H,30,31)(H,32,33)/b14-12+/t18-,19-,20+,21?/m1/s1
C25H41NO7467.59551100

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