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 16 results

Search term: KPQMCAKZRXOZLB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444115

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
C13H20O3224.296144521215
4444253

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+
C13H20O3224.2961255300
8712511

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13+/m0/s1
C13H20O3224.2961252300
9404885

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13+/m1/s1
C13H20O3224.2961131400
9991606

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m0/s1
C13H20O3224.29618700
389226

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3
C13H20O3224.296181000
21865638

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10?,13-/m1/s1
C13H20O3224.29617800
4573920

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10?,13-/m0/s1
C13H20O3224.29614500
57576691

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/t10-,13-/m1/s1
C13H20O3224.29613200
32697886

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5-/t10-,13-/m1/s1
C13H20O3224.29613600
32701703

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5-/t10-,13+/m1/s1
C13H20O3224.29613600
57576736

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/t10-,13+/m0/s1
C13H20O3224.29612100
64880728

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5-
C13H20O3224.29612400
114816203

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/t10-,13+/m1/s1
C13H20O3224.29611100
34985586

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5-/t10-,13-/m0/s1
C13H20O3224.29611200
34993262

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5-/t10-,13+/m0/s1
C13H20O3224.29611200

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