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 44 results

Search term: LXMSZDCAJNLERA (Found by InChIKey (skeleton match))
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5628

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
C24H32O4S416.57351362394019282
5077

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3
C24H32O4S416.573528310100
9684724

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19-,21+,22-,23-,24+/m0/s1
C24H32O4S416.5735171900
4925552

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24-/m0/s1
C24H32O4S416.5735121000
26263150

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19?,21+,22-,23-,24+/m0/s1
C24H32O4S416.573512600
17460034

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17?,18?,19-,21-,22+,23+,24-/m1/s1
C24H32O4S416.573511500
5142806

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21?,22-,23-,24+/m0/s1
C24H32O4S416.573510900
8652431

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17?,18?,19-,21?,22+,23+,24-/m1/s1
C24H32O4S416.57356400
58784612

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1/i1D3
C24H29D3O4S419.5926800
77499133

6 of 7 defined stereocentres - 6/7 defined

Non-standard isotope
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21?,22-,23-,24+/m0/s1/i4D2,7D2,12D,13D,19D/t13?,17-,18-,19+,21?,22-,23-,24+
C24H25D7O4S423.61663400
107441575

7 of 7 defined stereocentres - 7/7 defined

Non-standard isotope
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1/i4D2,7D2,12D,13D,19D/t13?,17-,18-,19+,21+,22-,23-,24+
C24H25D7O4S423.61663500
10131934

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17?,18?,19?,21?,22-,23-,24+/m0/s1
C24H32O4S416.57353300
4937756

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17?,18?,19-,21?,22?,23?,24-/m0/s1
C24H32O4S416.57353400
5036314

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18+,19+,21+,22+,23+,24+/m0/s1
C24H32O4S416.57353300
5036480

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18+,19-,21-,22+,23-,24-/m0/s1
C24H32O4S416.57353300
10043751

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22+,23+,24-/m0/s1
C24H32O4S416.57352100
10043909

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18+,19-,21-,22+,23+,24-/m1/s1
C24H32O4S416.57352100
10043910

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18+,19+,21+,22-,23-,24+/m0/s1
C24H32O4S416.57352100
10043911

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19-,21-,22+,23+,24-/m1/s1
C24H32O4S416.57352100
123

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