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 11 results

Search term: ZNRGQMMCGHDTEI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16736476

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
C17H20N2O2284.3529541504962
5393

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
C17H20N2O2284.35294947300
571010

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?
C17H20N2O2284.3529241600
65138

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12-/m0/s1
C17H20N2O2284.352911900
33824050

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12?,13?/m0/s1
C17H20N2O2284.35294200
84400587

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+/i2D,3D,4D,5D,10D
C17H15D5N2O2289.38374700
77498707

2 of 3 defined stereocentres - 2/3 defined

Non-standard isotope
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?/i2D,3D,4D,5D,10D
C17H15D5N2O2289.38372100
34948863

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12?,13+/m0/s1
C17H20N2O2284.35291100
67032861

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12?,13+/m1/s1
C17H20N2O2284.35291100
30786346

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/p+1/t11-,12+,13+
C17H21N2O2285.36031100
1554051

Charge

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/p+1/t11-,12+,13?
C17H21N2O2285.36031100

Advertisement