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 16 results

Search term: BCWZIZLVBYHFES (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
61848

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1
C19H26O3302.4079365000
48063861

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1/i2D3
C19H23D3O3305.42647900
57268575

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1/i2+1
C1813CH26O3303.40067400
28638014

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1/i2+1D3
C1813CH23D3O3306.41916700
62317124

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13+,15-,17-,19+/m0/s1
C19H26O3302.40793300
62668232

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13+,15-,17-,19-/m0/s1
C19H26O3302.40792200
24533374

1 of 5 defined stereocentres - 1/5 defined

Non-standard isotope
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12?,13?,15?,17-,19?/m0/s1/i5D,7D,8D2,17D
C19H21D5O3307.43872100
62296905

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15-,17+,19+/m1/s1
C19H26O3302.40792200
62296930

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13+,15-,17+,19+/m1/s1
C19H26O3302.40792200
34978202

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17-,19-/m0/s1/i2+1D3
C1813CH23D3O3306.41911100
78083537

2 of 5 defined stereocentres - 2/5 defined

Non-standard isotope
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12?,13?,15?,17-,19-/m1/s1/i8D2,17D
C19H23D3O3305.42641100
107451552

2 of 5 defined stereocentres - 2/5 defined

Non-standard isotope
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12?,13?,15?,17-,19-/m0/s1/i8D2,17D
C19H23D3O3305.42641100
111313991

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m0/s1/i2+1
C1813CH26O3303.40061100
111314521

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13+,15+,17-,19-/m1/s1
C19H26O3302.40791100

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