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: SPUGTKTYKGAGRY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4943690

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,11-12,14,17-19,23-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11+/t17-,18-,19+,21+/m1/s1
C21H39NO6401.53757700
78437192

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,11-12,14,17-19,23-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11+/t17?,18-,19+,21?/m1/s1
C21H39NO6401.53751100
120331390

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H39NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,11-12,14,17-19,23-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11u
C21H39NO6401.53751100

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