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 5 results

Search term: VYGVQURMYFVOPO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4946139

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C22H26N2O6/c1-24-10-9-21-18-12-3-4-14(25)19(18)30-20(21)13(7-8-22(21,28)15(24)11-12)23-16(26)5-6-17(27)29-2/h3-6,13,15,20,25,28H,7-11H2,1-2H3,(H,23,26)/b6-5+/t13-,15?,20+,21+,22-/m1/s1
C22H26N2O6414.45164300
8677523

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C22H26N2O6/c1-24-10-9-21-18-12-3-4-14(25)19(18)30-20(21)13(7-8-22(21,28)15(24)11-12)23-16(26)5-6-17(27)29-2/h3-6,13,15,20,25,28H,7-11H2,1-2H3,(H,23,26)/b6-5+/t13-,15-,20+,21+,22-/m1/s1/i7T,8T/t7?,8?,13-,15-,20+,21+,22-
C22H24T2N2O6418.46792200
8915841

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H26N2O6/c1-24-10-9-21-18-12-3-4-14(25)19(18)30-20(21)13(7-8-22(21,28)15(24)11-12)23-16(26)5-6-17(27)29-2/h3-6,13,15,20,25,28H,7-11H2,1-2H3,(H,23,26)/b6-5+/t13-,15-,20+,21+,22-/m1/s1
C22H26N2O6414.45162100
23167262

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H26N2O6/c1-24-10-9-21-18-12-3-4-14(25)19(18)30-20(21)13(7-8-22(21,28)15(24)11-12)23-16(26)5-6-17(27)29-2/h3-6,13,15,20,25,28H,7-11H2,1-2H3,(H,23,26)/b6-5+/t13-,15?,20+,21?,22-/m1/s1
C22H26N2O6414.45162200
23124021

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C22H26N2O6/c1-24-10-9-21-18-12-3-4-14(25)19(18)30-20(21)13(7-8-22(21,28)15(24)11-12)23-16(26)5-6-17(27)29-2/h3-6,13,15,20,25,28H,7-11H2,1-2H3,(H,23,26)/b6-5+/t13-,15?,20?,21?,22-/m1/s1
C22H26N2O6414.45161100

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