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 15 results

Search term: HOKDBMAJZXIPGC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3926

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2
C20H22N2S322.46711092151212
5360426

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m0/s1
C20H22N2S322.4671323700
2497283

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m1/s1
C20H22N2S322.4671262100
5360425

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/p+1/t16-/m0/s1
C20H23N2S323.47451100
5366556

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/p+1/t16-/m1/s1
C20H23N2S323.47451100
23097923

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/p+1
C20H23N2S323.47451100
48060288

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/i14+1D2
C1913CH20D2N2S325.47211100
76920429

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m0/s1/i14+1D2
C1913CH20D2N2S325.47211100
78057682

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/i14D2
C20H20D2N2S324.47941100
107441691

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m1/s1/i14+1D2
C1913CH20D2N2S325.47211200
110406136

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/i1+2,2+2,3+2,4+2,5+2,6+2,7+2,8+2,17+2,18+2,19+2,20+2
C814C12H22N2S346.37761100
128918916

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2/t16-/m0/s1/i3D,4D,5D,6D
C20H18D4N2S326.49171200

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