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: LRFZIPCTFBPFLX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2016412

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1
C11H21NO4231.288741147700
5369631

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m0/s1
C11H21NO4231.28871006100
4224541

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)
C11H21NO4231.28874847800
5369629

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/p-1/t7-/m1/s1
C11H20NO4230.28133200
5369630

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/p-1/t7-/m0/s1
C11H20NO4230.28131100
95699559

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/p-1
C11H20NO4230.28131100
114394955

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1/i1D,2D3,3D3,7D/hD
C11H12D9NO4240.34421100
114725177

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1/i1D3,2D3,3D3
C11H12D9NO4240.34421100

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