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
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Found 11 results

Search term: FWRDLPQBEOKIRE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
142539

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+/m0/s1
C23H32O3S388.5634293200
107446408

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+/m0/s1/i3D3
C23H29D3O3S391.58193400
62625397

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+/m1/s1
C23H32O3S388.56342200
107441740

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22-,23+/m0/s1/i4D2,7D2,12D,13D2
C23H25D7O3S395.60652400
8175937

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16?,17?,18-,20?,21+,22+,23-/m1/s1
C23H32O3S388.56342100
23976123

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16?,17?,18?,20-,21+,22+,23-/m1/s1
C23H32O3S388.56342100
58784982

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21?,22-,23+/m0/s1/i4D2,7D2,12D,13D2
C23H25D7O3S395.60651100
58785451

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21?,22-,23+/m0/s1
C23H32O3S388.56341100
58817152

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18+,20+,21-,22?,23+/m0/s1
C23H32O3S388.56341100
107449278

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C23H32O3S/c1-21-8-4-15(24)12-14(21)13-18(27-3)20-16(21)5-9-22(2)17(20)6-10-23(22)11-7-19(25)26-23/h12,16-18,20H,4-11,13H2,1-3H3/t16-,17-,18-,20+,21-,22-,23+/m0/s1/i3+1D3
C2213CH29D3O3S392.57451100

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