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: LDCYZAJDBXYCGN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
388413


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1
C11H12N2O3220.2246164214310666
141

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)
C11H12N2O3220.224615225532916816
172715

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m1/s1
C11H12N2O3220.2246655100
48060178

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1/i1D,2D,4D,5D
C11H8D4N2O3224.24928800
25196697

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1/i1D,2D,4D
C11H9D3N2O3223.243171000
9302980

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1/i11+2
C1014CH12N2O3222.21713600
9944699

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1/i9D
C11H11DN2O3221.23072100
396864

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/i3-1
C1011CH12N2O3219.22532300
8013073

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1/i3-1
C1011CH12N2O3219.22532100
9053998

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1/i9T
C11H11TN2O3222.23272200
78076009

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m1/s1/i1D,2D,4D,5D
C11H8D4N2O3224.24921100
107439106

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/i3D2,9D
C11H9D3N2O3223.24311200

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