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
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Found 4 results

Search term: KQTAMTBUQUXVAK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
112197

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H26O3/c1-19-7-6-16-14(15(19)4-5-18(19)22)3-2-13-8-17(21)12-9-20(13,16)11-23-10-12/h8,12,14-16H,2-7,9-11H2,1H3/t12-,14+,15+,16+,19+,20-/m1/s1
C20H26O3314.418611900
7994057

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H26O3/c1-19-7-6-16-14(15(19)4-5-18(19)22)3-2-13-8-17(21)12-9-20(13,16)11-23-10-12/h8,12,14-16H,2-7,9-11H2,1H3
C20H26O3314.41862100
8059009

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C20H26O3/c1-19-7-6-16-14(15(19)4-5-18(19)22)3-2-13-8-17(21)12-9-20(13,16)11-23-10-12/h8,12,14-16H,2-7,9-11H2,1H3/t12-,14?,15?,16?,19+,20-/m1/s1
C20H26O3314.41862100
123962028

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H26O3/c1-19-7-6-16-14(15(19)4-5-18(19)22)3-2-13-8-17(21)12-9-20(13,16)11-23-10-12/h8,12,14-16H,2-7,9-11H2,1H3/t12?,14-,15-,16-,19-,20+/m0/s1
C20H26O3314.41861100

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