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 22 results

Search term: CMWTZPSULFXXJA (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
137720


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
C14H14O3230.25921753214099209
1262

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
C14H14O3230.25921342708145
147913

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1
C14H14O3230.2592929400
24533562

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/i1D3
C14H11D3O3233.2776141600
34998267

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/i2D3
C14H11D3O3233.2776111800
48060576

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/i1+1D3
C1313CH11D3O3234.27038800
34559575

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1/i2D3
C14H11D3O3233.27767600
5300241

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/p-1/t9-/m0/s1
C14H13O3229.251226500
5300878

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/p-1/t9-/m1/s1
C14H13O3229.251223200
68023823

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/i1+1
C1313CH14O3231.25183200
49073442

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/i2+1D3
C1313CH11D3O3234.27032200
107435557

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/i1+1,2+1,14+1
C1113C3H14O3233.23712300
110416010

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/i3D,4D,5D,6D,7D,8D
C14H8D6O3236.29612300
8438775

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/i9D
C14H13DO3231.26532100
9393567

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m1/s1/i8T
C14H13TO3232.26732100
9508670

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1/i8T
C14H13TO3232.26732100
3826751

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/p-1
C14H13O3229.25182200
114392286

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1/i1D,9D/hD
C14H11D3O3233.27761100
95600689

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1/i/hD
C14H13DO3231.26531100
12

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