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 8 results

Search term: GTFUITFQDGVJSK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
92341

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
C20H28O3316.4345595611
4386807

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3
C20H28O3316.4345261102
21429077

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20+/m0/s1
C20H28O3316.43455300
23089401

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15?,16?,17?,18?,19-,20-/m0/s1
C20H28O3316.43454100
9870109

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15?,16-,17-,18+,19+,20+/m1/s1
C20H28O3316.43454300
27472840

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19+,20-/m1/s1
C20H28O3316.43452100
58816786

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19?,20-/m0/s1
C20H28O3316.43451100
114813105

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17-,18+,19+,20-/m1/s1
C20H28O3316.43451100

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