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 3 results

Search term: DISXKJJDDVRQSD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26636576

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C23H37N3O7S3/c1-4-14(2)21-18(27)12-20(29)33-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-36(3)32)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15+,16+,17+,18-,21+,36?/m0/s1
C23H37N3O7S3563.75084400
58139224

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C23H37N3O7S3/c1-4-14(2)21-18(27)12-20(29)33-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-36(3)32)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5-/t14-,15+,16+,17+,18-,21+,36?/m0/s1
C23H37N3O7S3563.75082200
65321552

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C23H37N3O7S3/c1-4-14(2)21-18(27)12-20(29)33-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-36(3)32)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15?,16+,17+,18-,21+,36?/m0/s1
C23H37N3O7S3563.75082200

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