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 12 results

Search term: BPNZYADGDZPRTK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7830987

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10-/m1/s1
C13H28N4O2272.3873345130
7996502

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+
C13H28N4O2272.387113600
28681667

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3
C13H28N4O2272.3874500
57523927

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10?/m1/s1
C13H28N4O2272.3872200
57618100

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/t9-,10-/m1/s1
C13H28N4O2272.3872100
7830988

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10+/i5+2,6+2
C1114C2H28N4O2276.37212200
7830986

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10-/m0/s1
C13H28N4O2272.3872200
7852316

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/p-1/b16-11+,17-12+
C13H27N4O2271.37961100
10128530

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/p-1/b16-11+,17-12+/t9-,10-/m1/s1
C13H27N4O2271.37961100
17264327

Charge

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/p-2/b16-11+,17-12+
C13H26N4O2270.37221100
114936804

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+/t9-,10+
C13H28N4O2272.3871100

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