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 6 results

Search term: HWECMADGHQKSLK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9898025

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3/t13-,15-,17+,18-,19+,20+/m0/s1
C20H28O3316.4345201600
2338992

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3
C20H28O3316.4345101500
29365029

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3/t13-,15-,17+,18+,19+,20+/m0/s1
C20H28O3316.43459700
88298396

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3/t13-,15-,17+,18+,19+,20-/m1/s1
C20H28O3316.43452100
113611623

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3/t13-,15-,17+,18+,19-,20+/m0/s1
C20H28O3316.43451100
115015727

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3/t13-,15-,17+,18-,19+,20-/m0/s1
C20H28O3316.43451100

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