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: IXELFRRANAOWSF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4533332

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+
C9H14OS3234.40194011909
8056824

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-
C9H14OS3234.4019171500
65307

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2
C9H14OS3234.4019131100
34988446

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+/t13-/m1/s1
C9H14OS3234.40192200
58781223

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+/i1D2,2D2,3D,4D,5D,6D2,7D,8D2,9D2
C9D14OS3248.48812200
107439897

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+/i1D2,3D,6D2
C9H9D5OS3239.43271100
34988447

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5+/t13-/m0/s1
C9H14OS3234.40191200
34988444

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-/t13-/m0/s1
C9H14OS3234.40191200
34988445

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C9H14OS3/c1-3-6-11-12-7-5-9-13(10)8-4-2/h3-5,7H,1-2,6,8-9H2/b7-5-/t13-/m1/s1
C9H14OS3234.40191200

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