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 7 results

Search term: SCUMDQFFZZGUQY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
27523950

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H
C13H18ClNO2255.7405435200
48063031

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H/t11-,12+;/m1./s1
C13H18ClNO2255.7405101200
52085220

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H/t11-,12-;/m1./s1
C13H18ClNO2255.74057700
25196708

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H/i4D2,5D2,8D2,9D2,11D;
C13H9D9ClNO2264.7962100
49071001

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H/t11-,12?;/m0./s1/i4D2,5D2;
C13H14D4ClNO2259.76522300
49070992

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H/t11-,12+;/m0./s1/i4D2,5D2,8D2,9D2,11D,12D;
C13H8D10ClNO2265.80211400
129260811

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H17NO2.ClH/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16);1H/t11-,12-;/m1./s1/i4D2,5D2,8D2,9D2,11D,12D;
C13H8D10ClNO2265.80211500

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