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 11 results

Search term: LRCNOZRCYBNMEP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
147286

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1
C11H21NO4231.2887373300
8352507

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3
C11H21NO4231.2887212220
62460951

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m0/s1
C11H21NO4231.28874300
8352508

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/p+1
C11H22NO4232.29613200
147287

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/p+1/t9-/m1/s1
C11H22NO4232.29613300
26324025

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1/i1D3,2D3,8D
C11H14D7NO4238.33191100
78076079

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m0/s1/i1D3,2D3
C11H15D6NO4237.32571100
98645524

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1/i3D3,4D3,5D3
C11H12D9NO4240.34421100
107448369

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m1/s1/i1D3/t8?,9-
C11H18D3NO4234.30721200
111310674

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H21NO4/c1-8(2)11(15)16-9(6-10(13)14)7-12(3,4)5/h8-9H,6-7H2,1-5H3/t9-/m0/s1/i1D3/t8?,9-
C11H18D3NO4234.30721100

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