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: NTKGUTHHGBIWPA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9408769

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O5/c1-9-12(22)10(2)14(23-8)24-13(9)18(4)11(3)19(5)15(18)20(6)17(26-20)21(7)16(19)25-21/h11,15-17H,1-8H3/t11-,15-,16-,17+,18+,19+,20+,21-/m0/s1
C21H28O5360.4446500
10480481

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O5/c1-9-12(22)10(2)14(23-8)24-13(9)18(4)11(3)19(5)15(18)20(6)17(26-20)21(7)16(19)25-21/h11,15-17H,1-8H3/t11-,15+,16+,17-,18+,19-,20-,21+/m1/s1
C21H28O5360.4442200
28282465

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C21H28O5/c1-9-12(22)10(2)14(23-8)24-13(9)18(4)11(3)19(5)15(18)20(6)17(26-20)21(7)16(19)25-21/h11,15-17H,1-8H3
C21H28O5360.4441100
73979748

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O5/c1-9-12(22)10(2)14(23-8)24-13(9)18(4)11(3)19(5)15(18)20(6)17(26-20)21(7)16(19)25-21/h11,15-17H,1-8H3/t11-,15-,16+,17-,18+,19+,20-,21+/m0/s1
C21H28O5360.4441300
74045717

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H28O5/c1-9-12(22)10(2)14(23-8)24-13(9)18(4)11(3)19(5)15(18)20(6)17(26-20)21(7)16(19)25-21/h11,15-17H,1-8H3/t11-,15+,16+,17-,18+,19-,20-,21+/m0/s1
C21H28O5360.4441100

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