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
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Found 12 results

Search term: PUEXVLNGOBYUEW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
168393

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1
C19H24O3300.3921354000
28638015

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1/i2+1D3
C1813CH21D3O3304.4032182100
57268587

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1/i2+1
C1813CH24O3301.38475300
21233495

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19-/m1/s1
C19H24O3300.39214300
62503291

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m0/s1
C19H24O3300.39213300
24533375

0 of 4 defined stereocentres - 0/4 defined

Non-standard isotope
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/i5D,7D,8D2
C19H20D4O3304.41672300
29790436

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12?,13-,15?,19+/m1/s1
C19H24O3300.39211100
34978200

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19-/m0/s1/i2+1D3
C1813CH21D3O3304.40321100
78075915

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1/i2D3
C19H21D3O3303.41051200
78075916

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m0/s1/i2D3
C19H21D3O3303.41051100
115009232

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1/i1+1,6+1,8+1,15+1,17+1,19+1
C1313C6H24O3306.3481100
115010658

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1/i5D,7D,8D2
C19H20D4O3304.41671100

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