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 13 results

Search term: RTHCYVBBDHJXIQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3269

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
C17H18F3NO309.32611364793814846
1265981

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1
C17H18F3NO309.3261354100
1265979

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1
C17H18F3NO309.3261251900
34979864

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/i2D,3D,4D,5D,6D
C17H13D5F3NO314.35696400
1265980

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m1/s1
C17H19F3NO310.33353200
5290056

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/i12D2
C17H16D2F3NO311.33845163300
9933439

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/i3T
C17H17TF3NO311.33422100
13082880

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1
C17H19F3NO310.33352200
1265978

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/p+1/t16-/m0/s1
C17H19F3NO310.33352200
78361989

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1/i2D,3D,4D,5D,6D
C17H13D5F3NO314.35692200
95656770

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/i/hD
C17H17DF3NO310.33231100
95656771

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/i2D,3D,4D,5D,6D,16D
C17H12D6F3NO315.36311100
17271214

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/i1D3
C17H15D3F3NO312.34461100

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