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 4 results

Search term: KZRFFIVMBRBAAB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4945977

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C22H38O5/c1-3-4-13-22(2,27)14-9-12-19-18(20(25)15-21(19)26)11-8-6-5-7-10-17(24)16-23/h9,12,18-19,21,23,26-27H,3-8,10-11,13-16H2,1-2H3/b12-9+/t18-,19-,21-,22?/m1/s1
C22H38O5382.53416600
8424830

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H38O5/c1-3-4-13-22(2,27)14-9-12-19-18(20(25)15-21(19)26)11-8-6-5-7-10-17(24)16-23/h9,12,18-19,21,23,26-27H,3-8,10-11,13-16H2,1-2H3/b12-9+/t18-,19?,21-,22?/m1/s1
C22H38O5382.53414300
8397018

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C22H38O5/c1-3-4-13-22(2,27)14-9-12-19-18(20(25)15-21(19)26)11-8-6-5-7-10-17(24)16-23/h9,12,18-19,21,23,26-27H,3-8,10-11,13-16H2,1-2H3/b12-9+/t18-,19-,21-,22-/m1/s1
C22H38O5382.53412100

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