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 15 results

Search term: JXXCENBLGFBQJM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5752

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H
C7H16ClNO3197.65984109143353
571006

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1
C7H16ClNO3197.6598716901
141363

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m0./s1
C7H16ClNO3197.6598574700
23935613

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/i1D3,2D3,3D3;
C7H7D9ClNO3206.7153202100
24532300

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1D3;
C7H13D3ClNO3200.6783192100
58778615

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1D3,2D3,3D3;
C7H7D9ClNO3206.71536600
58779730

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i7+1;
C613CH16ClNO3198.65252200
24603336

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/p+1
C7H17ClNO3198.66722100
48058490

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/i1D3;
C7H13D3ClNO3200.67832100
49072378

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1+1D3;
C613CH13D3ClNO3201.6712300
57268737

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1+2,2+2,3+2;
C414C3H16ClNO3203.63752100
107449519

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m0./s1/i1+1,2+1,3+1;
C413C3H16ClNO3200.63781100
114810925

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1/i1+1,2+1,3+1;
C413C3H16ClNO3200.63781400
122900147

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m0./s1/i1D3;
C7H13D3ClNO3200.67831100

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