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 16 results

Search term: CMXKUJNZWYTFJN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8011024

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1
C18H28O2276.4137323240
8097336

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13+,14-,15-,16+,17+,18+/m1/s1
C18H28O2276.4137151500
23750

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3
C18H28O2276.4137101403
21378717

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12?,13-,14+,15+,16-,17?,18-/m0/s1
C18H28O2276.41374602
23498809

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13?,14?,15?,16?,17-,18-/m0/s1
C18H28O2276.41374151
7989926

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17+,18-/m0/s1
C18H28O2276.41373200
8014201

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13?,14+,15+,16-,17-,18-/m0/s1
C18H28O2276.41372100
8141003

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13+,14-,15-,16+,17-,18+/m1/s1
C18H28O2276.41372100
8509148

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13?,14+,15?,16-,17-,18-/m0/s1
C18H28O2276.41372100
9383214

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13?,14-,15-,16+,17+,18+/m1/s1
C18H28O2276.41372100
58781137

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1/i7D2,17D
C18H25D3O2279.43222200
62536586

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13+,14+,15+,16-,17-,18+/m0/s1
C18H28O2276.41372200
62536598

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17+,18-/m1/s1
C18H28O2276.41372200
111313500

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m1/s1/i7D2,17D
C18H25D3O2279.43221100
111313992

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,12-17,19-20H,2-9H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m1/s1
C18H28O2276.41371100

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