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: VCMGMSHEPQENPE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
15065

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H
C13H17Cl2NO274.18618654795037
26332012

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m0./s1
C13H17Cl2NO274.1862293300
8014137

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m1./s1
C13H17Cl2NO274.1862233100
32679129

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/i2D,3D,6D,7D;
C13H13D4Cl2NO278.2108101300
34449146

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/i1D3;
C13H14D3Cl2NO277.20474400
58782475

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m0./s1/i4D2,5D2,9D2;
C13H11D6Cl2NO280.22322700
58782800

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m1./s1/i4D2,5D2,9D2;
C13H11D6Cl2NO280.22321100
107436900

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/i4D2,5D2,9D2;
C13H11D6Cl2NO280.22321300

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