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 11 results

Search term: FRVHJVATKMIOPQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17611

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m1/s1
C20H32O288.4675293200
57422638

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14?,15-,16+,17+,18+,19+,20+/m1/s1
C20H32O288.46756500
3228376

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3
C20H32O288.46755400
34500609

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20+/m1/s1
C20H32O288.46753100
58785717

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m1/s1/i3D3
C20H29D3O291.4863300
52563788

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15+,16+,17+,18-,19-,20-/m0/s1
C20H32O288.46752200
21376217

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14?,15-,16+,17+,18+,19+,20?/m1/s1
C20H32O288.46751100
58817039

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18?,19?,20+/m1/s1
C20H32O288.46751100
78076048

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m0/s1/i3D3
C20H29D3O291.4861100
78076614

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C20H32O/c1-18-11-5-4-6-14(18)7-8-15-16(18)9-12-19(2)17(15)10-13-20(19,3)21/h4-5,14-17,21H,6-13H2,1-3H3/t14-,15-,16+,17+,18+,19+,20+/m0/s1
C20H32O288.46751100

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