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 14 results

Search term: PJVWKTKQMONHTI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10442445


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
C19H16O4308.3279131767812909143
10533327

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1
C19H16O4308.32796421100
10533326

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1
C19H16O4308.3279505200
23937379

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/i2D,3D,4D,7D,8D
C19H11D5O4313.3587203300
29738787

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1/i2D,3D,4D,7D,8D
C19H11D5O4313.3587111700
29738788

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1/i2D,3D,4D,7D,8D
C19H11D5O4313.358781100
21865740

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/p-1
C19H15O4307.32053400
21234283

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/p-1/t15-/m1/s1
C19H15O4307.32052100
57267889

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/i11+2
C1814CH16O4310.32052100
58163911

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/p-1/t15-/m0/s1
C19H15O4307.32051100
95737664

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/i/hD
C19H15DO4309.33411100
110406420

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/i2T
C19H15TO4310.3361100
114394319

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m1/s1/i2T
C19H15TO4310.3361100
114394320

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/t15-/m0/s1/i2T
C19H15TO4310.3361100

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