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: XWVDGMIXJIIFTO (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4642901

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8+;/t12-;/m1./s1
C13H16NNaO4273.2602412700
4954631

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8+;
C13H16NNaO4273.2602172100
21173131

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/t12-;/m1./s1
C13H16NNaO4273.26028600
4280106

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1
C13H16NNaO4273.260215500
13986724

Charge

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8-;
C13H16NNaO4273.26025600
32696593

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8-;/t12-;/m0./s1
C13H16NNaO4273.26023200
17206730

Charge

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-4,7-8,12,14H,5-6H2,1-2H3,(H,16,17);/q;+1/p-1/b9-8-;/t12-;/m1./s1
C13H16NNaO4273.26021100

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