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 12 results

Search term: WSCCZHJZVDZUSC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2142778

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3
C21H28O4344.44462171100
22870694

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3/t14?,15?,19?,20?,21-/m1/s1
C21H28O4344.44463100
628446

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3/t14-,15+,19-,20+,21+/m0/s1
C21H28O4344.44462100
809516

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3/t14-,15-,19-,20+,21+/m0/s1
C21H28O4344.44462100
809517

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3/t14-,15+,19+,20-,21-/m1/s1
C21H28O4344.44462100
1048566

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3/t14-,15+,19-,20+,21+/m1/s1
C21H28O4344.44462100
62644311

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3/t14-,15-,19+,20-,21-/m1/s1
C21H28O4344.44462200
30809964

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3/t14-,15-,19-,20+,21-/m1/s1
C21H28O4344.44461100
5036906

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3/t14-,15+,19-,20+,21-/m1/s1
C21H28O4344.44461100
17461452

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C21H28O4/c1-13-10-14(2)21(11-24-16(4)22)12-25-20(19(13)15(21)3)17-6-8-18(23-5)9-7-17/h6-10,14-15,19-20H,11-12H2,1-5H3/t14?,15?,19-,20?,21-/m1/s1
C21H28O4344.44461100

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