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
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Found 6 results

Search term: BLLQFETUFOJMGB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
60724

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H27FO2/c1-3-11-10-20(2)16(9-17(21)19(20)23)15-6-4-12-8-13(22)5-7-14(12)18(11)15/h5,7-8,11,15-19,22-23H,3-4,6,9-10H2,1-2H3/t11-,15-,16-,17+,18+,19-,20-/m0/s1
C20H27FO2318.42569700
396255

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C20H27FO2/c1-3-11-10-20(2)16(9-17(21)19(20)23)15-6-4-12-8-13(22)5-7-14(12)18(11)15/h5,7-8,11,15-19,22-23H,3-4,6,9-10H2,1-2H3/t11-,15-,16-,17-,18+,19-,20-/m0/s1/i21-1
C20H2718FO2317.42814400
8533968

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H27FO2/c1-3-11-10-20(2)16(9-17(21)19(20)23)15-6-4-12-8-13(22)5-7-14(12)18(11)15/h5,7-8,11,15-19,22-23H,3-4,6,9-10H2,1-2H3/t11-,15-,16-,17-,18+,19-,20-/m0/s1
C20H27FO2318.42564300
397392

3 of 7 defined stereocentres - 3/7 defined

Non-standard isotope
InChI=1/C20H27FO2/c1-3-11-10-20(2)16(9-17(21)19(20)23)15-6-4-12-8-13(22)5-7-14(12)18(11)15/h5,7-8,11,15-19,22-23H,3-4,6,9-10H2,1-2H3/t11-,15?,16?,17?,18?,19-,20-/m0/s1/i21-1
C20H2718FO2317.42812200
10442560

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C20H27FO2/c1-3-11-10-20(2)16(9-17(21)19(20)23)15-6-4-12-8-13(22)5-7-14(12)18(11)15/h5,7-8,11,15-19,22-23H,3-4,6,9-10H2,1-2H3
C20H27FO2318.42561100
58820229

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H27FO2/c1-3-11-10-20(2)16(9-17(21)19(20)23)15-6-4-12-8-13(22)5-7-14(12)18(11)15/h5,7-8,11,15-19,22-23H,3-4,6,9-10H2,1-2H3/t11?,15-,16-,17?,18+,19+,20-/m0/s1
C20H27FO2318.42561100

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