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 9 results

Search term: DTGLZDAWLRGWQN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5293653


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3
C20H20FNO3S373.441103213111800
48063172

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3/i6D2,7D2,13D
C20H15D5FNO3S378.4719121500
21235571

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3/t19-/m0/s1
C20H20FNO3S373.4411974431
30773415

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3/i1D3
C20H17D3FNO3S376.45968700
32790568

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3/t19-/m1/s1
C20H20FNO3S373.44118700
103869166

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3/i2D,3D,4D,5D
C20H16D4FNO3S377.46582200
57558687

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3/i6D2,7D2
C20H16D4FNO3S377.46581100
58163909

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3/p+1/t19-/m0/s1
C20H21FNO3S374.44851100
58163910

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H20FNO3S/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21/h2-5,10,13,19H,6-9,11H2,1H3/p+1/t19-/m1/s1
C20H21FNO3S374.44851100

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