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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 289 results

Search term: C21H40O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4446588

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
C21H40O4356.53999914539056
4478086

Double-bond stereo
InChI=1/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
C21H40O4356.53996710611129
4516959

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+
C21H40O4356.53995338700
7696
InChI=1/C21H40O4/c1-3-5-7-14-18-24-20(22)16-12-10-9-11-13-17-21(23)25-19-15-8-6-4-2/h3-19H2,1-2H3
C21H40O4356.53994541029
80760

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H40O4/c1-5-9-12-18(7-3)16-24-20(22)14-11-15-21(23)25-17-19(8-4)13-10-6-2/h18-19H,5-17H2,1-4H3
C21H40O4356.5399343500
23010051

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1
C21H40O4356.5399264000
59718041
InChI=1/C21H40O4/c1-21(2,3)25-20(24)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(22)23/h4-18H2,1-3H3,(H,22,23)
C21H40O4356.5399232300
35564

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H40O4/c1-4-6-8-10-12-14-16-20(22)24-18-19(3)25-21(23)17-15-13-11-9-7-5-2/h19H,4-18H2,1-3H3
C21H40O4356.5399202004
70603
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20(22)23)21(24)25/h19H,2-18H2,1H3,(H,22,23)(H,24,25)
C21H40O4356.5399191214
78181

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24/h19H,3-18H2,1-2H3,(H,23,24)
C21H40O4356.5399191800
4510405

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C21H40O4/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/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3/b13-10-/t19?,20-/m1/s1
C21H40O4356.5399192300
9625998

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
C21H40O4356.5399198000
4865039

Double-bond stereo
InChI=1/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+
C21H40O4356.5399183000
31567

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H40O4/c1-7-11-13-17(9-3)19(22)24-15-21(5,6)16-25-20(23)18(10-4)14-12-8-2/h17-18H,7-16H2,1-6H3
C21H40O4356.5399181800
60282
InChI=1/C21H40O4/c1-5-18(6-2)16-24-20(22)14-12-10-9-11-13-15-21(23)25-17-19(7-3)8-4/h18-19H,5-17H2,1-4H3
C21H40O4356.5399171500
140807
InChI=1/C21H40O4/c1-5-7-9-11-13-15-19(22)24-17-21(3,4)18-25-20(23)16-14-12-10-8-6-2/h5-18H2,1-4H3
C21H40O4356.5399171800
4675424

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H40O4/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/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3/b13-10+
C21H40O4356.5399161400
105956
InChI=1/C21H40O4/c1-3-5-7-9-11-13-18-24-20(22)16-15-17-21(23)25-19-14-12-10-8-6-4-2/h3-19H2,1-2H3
C21H40O4356.5399161500
70320
InChI=1/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-18-20(22)23/h2-19H2,1H3,(H,22,23)
C21H40O4356.5399151200
7822618
InChI=1/C21H40O4/c22-20(23)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(24)25/h1-19H2,(H,22,23)(H,24,25)
C21H40O4356.5399151700
12345

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