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 91 results

Search term: C21H42O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23095

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
C21H42O4358.55581133452512
71407

InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
C21H42O4358.555857654313
9199948

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-22)25-20(2)23/h21-22H,3-19H2,1-2H3/t21-/m0/s1
C21H42O4358.5558344100
4945249

Double-bond stereo
InChI=1/C18H34O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-5H,2H2,1H3/b10-9-;
C21H42O4358.5558312100
10381543

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1
C21H42O4358.5558292800
192775

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H42O4/c1-3-4-5-12-15-20(22)16-13-10-8-6-7-9-11-14-17-21(23)25-19-18-24-2/h20,22H,3-19H2,1-2H3
C21H42O4358.5558282200
2284461

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-18-20(23)17-22/h19-20,22-23H,3-18H2,1-2H3
C21H42O4358.555780000001253700
19956800

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m1/s1
C21H42O4358.5558244000
1338

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-19-21(18-22)25-20(2)23/h21-22H,3-19H2,1-2H3
C21H42O4358.5558232300
192774

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H42O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h19-20,22-23H,3-18H2,1-2H3
C21H42O4358.5558161300
109592
InChI=1/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)25-19-21(2,17-22)18-23/h22-23H,3-19H2,1-2H3
C21H42O4358.5558141300
2298921
InChI=1/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-20(17-22)18-23/h19-20,22-23H,3-18H2,1-2H3
C21H42O4358.555780000001141200
57304256

Double-bond stereo
InChI=1/C18H34O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-5H,2H2,1H3/b10-9+;
C21H42O4358.555811700
29367658

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)25-21(24)18-19-22/h21-22,24H,2-19H2,1H3
C21H42O4358.55588700
148728

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H42O4/c1-3-4-5-12-15-20(25-19(2)18-22)16-13-10-8-6-7-9-11-14-17-21(23)24/h19-20,22H,3-18H2,1-2H3,(H,23,24)
C21H42O4358.55588500
308581
InChI=1/C21H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-20(18-23-2)19-24-3/h20H,4-19H2,1-3H3
C21H42O4358.55587400
460893

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)25-19-20(24-3)18-23-2/h20H,4-19H2,1-3H3
C21H42O4358.55587500
217429

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H42O4/c1-3-5-6-7-9-12-15-19(22)20(23)16-13-10-8-11-14-17-21(24)25-18-4-2/h19-20,22-23H,3-18H2,1-2H3
C21H42O4358.55585200
223311

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H42O4/c1-2-3-4-5-8-11-14-20-21(25-20)15-12-9-6-7-10-13-16-24-18-19(23)17-22/h19-23H,2-18H2,1H3
C21H42O4358.55584200
9431915

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)21-24-18-19(17-22)25-21/h19-23H,2-18H2,1H3
C21H42O4358.55584300
12345

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