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 10 results

Search term: VRQVVMDWGGWHTJ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65239

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1
C19H24N2OS328.471773122681
3779

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3
C19H24N2OS328.47175819003
144659

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m0/s1
C19H24N2OS328.4717141000
23936531

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/i2D3,3D3
C19H18D6N2OS334.5086131400
58782975

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/t14-/m1/s1/i2D3
C19H21D3N2OS331.49012400
5294320

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/p+1/t14-/m1/s1
C19H25N2OS329.47961100
5296666

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H24N2OS/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3/p+1/t14-/m0/s1
C19H25N2OS329.47961100

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