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
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Found 4443 results

Search term: C21H22N2O5S (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
114136

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22N2O5S/c1-13(24)22-12-29-11-19(20(25)26)23-21(27)28-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-12H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t19-/m0/s1
C21H22N2O5S414.4748966900
5381792

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H22N2O5S/c1-13(24)22-12-29-11-19(20(25)26)23-21(27)28-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-12H2,1H3,(H,22,24)(H,23,27)(H,25,26)/t19-/m1/s1
C21H22N2O5S414.4748664400
8634

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t15-,16+,19-/m1/s1
C21H22N2O5S414.4748658354711
2872499
InChI=1/C21H22N2O5S/c1-4-27-20(24)13-28-17-11-16-8-7-15(3)22-21(16)19(12-17)23-29(25,26)18-9-5-14(2)6-10-18/h5-12,23H,4,13H2,1-3H3
C21H22N2O5S414.4748505500
3494661

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22N2O5S/c1-21(27-10-11-28-21)15-4-5-16(22-13-15)8-9-26-17-6-2-14(3-7-17)12-18-19(24)23-20(25)29-18/h2-7,13,18H,8-12H2,1H3,(H,23,24,25)
C21H22N2O5S414.47478262300
3238801

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22N2O5S/c1-13(24)22-12-29-11-19(20(25)26)23-21(27)28-10-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-12H2,1H3,(H,22,24)(H,23,27)(H,25,26)
C21H22N2O5S414.4748241900
864073
InChI=1/C21H22N2O5S/c1-27-19-12-11-16(13-20(19)28-2)22-21(24)14-23(29(3,25)26)18-10-6-8-15-7-4-5-9-17(15)18/h4-13H,14H2,1-3H3,(H,22,24)
C21H22N2O5S414.4748241600
867321
InChI=1/C21H22N2O5S/c1-2-27-18-10-12-20(13-11-18)29(25,26)23(17-7-4-3-5-8-17)16-21(24)22-15-19-9-6-14-28-19/h3-14H,2,15-16H2,1H3,(H,22,24)
C21H22N2O5S414.4748231800
972456
InChI=1/C21H22N2O5S/c1-16-5-11-20(12-6-16)29(25,26)23(17-7-9-18(27-2)10-8-17)15-21(24)22-14-19-4-3-13-28-19/h3-13H,14-15H2,1-2H3,(H,22,24)
C21H22N2O5S414.4748231900
984642
InChI=1/C21H22N2O5S/c1-16-9-11-18(12-10-16)29(25,26)23(19-7-3-4-8-20(19)27-2)15-21(24)22-14-17-6-5-13-28-17/h3-13H,14-15H2,1-2H3,(H,22,24)
C21H22N2O5S414.4748231900
864071
InChI=1/C21H22N2O5S/c1-27-16-11-12-20(28-2)18(13-16)22-21(24)14-23(29(3,25)26)19-10-6-8-15-7-4-5-9-17(15)19/h4-13H,14H2,1-3H3,(H,22,24)
C21H22N2O5S414.4748231600
21904625

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22N2O5S/c1-3-28-20(24)18-17(13-29(26,27)16-7-5-4-6-8-16)22-21(25)23-19(18)15-11-9-14(2)10-12-15/h4-12,19H,3,13H2,1-2H3,(H2,22,23,25)
C21H22N2O5S414.4748232000
11879568

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22N2O5S/c1-27-17-9-8-14(12-18(17)28-2)10-11-22-16(13-19(24)25)20(26)23(21(22)29)15-6-4-3-5-7-15/h3-9,12,16H,10-11,13H2,1-2H3,(H,24,25)
C21H22N2O5S414.4748221600
12262908

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22N2O5S/c1-14-3-6-16(7-4-14)20-11-19(22-28-20)21(24)23(12-18-8-5-15(2)27-18)17-9-10-29(25,26)13-17/h3-8,11,17H,9-10,12-13H2,1-2H3
C21H22N2O5S414.4748221400
1006321
InChI=1/C21H22N2O5S/c1-16-5-11-20(12-6-16)29(25,26)23(2)17-7-9-18(10-8-17)28-15-21(24)22-14-19-4-3-13-27-19/h3-13H,14-15H2,1-2H3,(H,22,24)
C21H22N2O5S414.4748221600
1045191
InChI=1/C21H22N2O5S/c1-2-27-17-10-8-16(9-11-17)19-22-20(21(28-19)23-12-14-26-15-13-23)29(24,25)18-6-4-3-5-7-18/h3-11H,2,12-15H2,1H3
C21H22N2O5S414.4748221600
1068085
InChI=1/C21H22N2O5S/c1-3-27-17(24)11-28-14-9-8-12(10-15(14)26-2)19-22-20(25)18-13-6-4-5-7-16(13)29-21(18)23-19/h8-10H,3-7,11H2,1-2H3,(H,22,23,25)
C21H22N2O5S414.4748221700
1095030
InChI=1/C21H22N2O5S/c1-14-3-8-19-18(13-14)15(2)20(28-19)21(24)22-16-4-6-17(7-5-16)29(25,26)23-9-11-27-12-10-23/h3-8,13H,9-12H2,1-2H3,(H,22,24)
C21H22N2O5S414.4748221300
1130699
InChI=1/C21H22N2O5S/c1-12-18(13-6-8-15(25-2)9-7-13)22-21(29-12)23-20(24)14-10-16(26-3)19(28-5)17(11-14)27-4/h6-11H,1-5H3,(H,22,23,24)
C21H22N2O5S414.4748221400
2245539

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H22N2O5S/c1-3-28-17-9-11-19(22-21(25)14(2)24)20(13-17)23-29(26,27)18-10-8-15-6-4-5-7-16(15)12-18/h4-14,23-24H,3H2,1-2H3,(H,22,25)
C21H22N2O5S414.47478221600
12345

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