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 7 results

Search term: KTEHTTNELUAQFC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4945757

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H36O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h14,16-18,25H,3-13,15H2,1-2H3,(H,23,24)/b16-14+/t17?,18-,21?/m1/s1
C21H36O4352.5081121400
10128671

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H36O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h14,16-18,25H,3-13,15H2,1-2H3,(H,23,24)/b16-14+/t17-,18-,21+/m1/s1
C21H36O4352.50818900
16736949

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H36O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h14,16-18,25H,3-13,15H2,1-2H3,(H,23,24)/b16-14+/t17-,18-,21?/m1/s1
C21H36O4352.50812220
34241618

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H36O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h14,16-18,25H,3-13,15H2,1-2H3,(H,23,24)/b16-14+/t17?,18-,21+/m1/s1
C21H36O4352.50812200
34994919

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H36O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h14,16-18,25H,3-13,15H2,1-2H3,(H,23,24)/b16-14+/t17-,18-,21+/m0/s1
C21H36O4352.50811100
110803796

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H36O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h14,16-18,25H,3-13,15H2,1-2H3,(H,23,24)/b16-14+/t17-,18-,21-/m1/s1
C21H36O4352.50811100

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