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: IUBMRJVNZLQSHU (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8422393

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C17H28O7/c1-8(5-14(19)20)4-12-16(22)15(21)11(7-23-12)6-13-17(24-13)9(2)10(3)18/h5,9-13,15-18,21-22H,4,6-7H2,1-3H3,(H,19,20)/b8-5+/t9-,10-,11-,12-,13-,15+,16-,17-/m0/s1
C17H28O7344.4141400
77499282

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C17H28O7/c1-8(5-14(19)20)4-12-16(22)15(21)11(7-23-12)6-13-17(24-13)9(2)10(3)18/h5,9-13,15-18,21-22H,4,6-7H2,1-3H3,(H,19,20)/b8-5+/t9-,10-,11-,12-,13+,15+,16-,17-/m0/s1
C17H28O7344.44700
4957568

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C17H28O7/c1-8(5-14(19)20)4-12-16(22)15(21)11(7-23-12)6-13-17(24-13)9(2)10(3)18/h5,9-13,15-18,21-22H,4,6-7H2,1-3H3,(H,19,20)/b8-5+/t9-,10?,11+,12-,13?,15-,16+,17?/m0/s1
C17H28O7344.43300
58784828

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined

Non-standard isotope
InChI=1/C17H28O7/c1-8(5-14(19)20)4-12-16(22)15(21)11(7-23-12)6-13-17(24-13)9(2)10(3)18/h5,9-13,15-18,21-22H,4,6-7H2,1-3H3,(H,19,20)/b8-5+/t9-,10-,11-,12-,13-,15+,16-,17-/m0/s1/i1D3,4D2
C17H23D5O7349.43081100

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