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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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Isotopically Labeled
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Found 516 results

Search term: C22H36O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
146579

InChI=1/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
C22H36O3348.5194849006
3020759
InChI=1/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20(22(24)25)21(23)18-19/h16-18,23H,2-15H2,1H3,(H,24,25)
C22H36O3348.51944222000
4470879

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17?,18-,19?,20-,21+/m0/s1
C22H36O3348.51944171300
10132076

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O3/c1-8-21(6,24)13-10-17-15(2)14-18(25-16(3)23)19-20(4,5)11-9-12-22(17,19)7/h8,17-19,24H,1-2,9-14H2,3-7H3/t17-,18-,19-,21+,22+/m0/s1
C22H36O3348.5194171800
23935431

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C22H36O3/c1-3-4-5-6-7-8-9-10-14-17-21(18-22(23)24-2)25-19-20-15-12-11-13-16-20/h11-13,15-16,21H,3-10,14,17-19H2,1-2H3/t21-/m1/s1
C22H36O3348.519416900
76780369

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+/t20-,21+,22+/m0/s1
C22H36O3348.5194141500
4325901
InChI=1/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-25-21-17-15-16-20(19-21)22(23)24-2/h15-17,19H,3-14,18H2,1-2H3
C22H36O3348.51944131000
29341873

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H36O3/c1-22(2,13-6-4-3-5-7-14-23)18-11-12-20(21(25)16-18)17-9-8-10-19(24)15-17/h11-12,16-17,19,23-25H,3-10,13-15H2,1-2H3/t17-,19+/m0/s1
C22H36O3348.5194131400
2560368
InChI=1/C22H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-25-21-17-15-20(16-18-21)22(23)24-2/h15-18H,3-14,19H2,1-2H3
C22H36O3348.519413800
4272206
InChI=1/C22H36O3/c1-3-5-7-8-9-10-11-13-17-25-19-15-16-20(22(24)18-19)21(23)14-12-6-4-2/h15-16,18,24H,3-14,17H2,1-2H3
C22H36O3348.5194411600
473478

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C22H36O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h13,15-19,24-25H,5-12H2,1-4H3
C22H36O3348.519411900
29341982

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H36O3/c1-2-3-6-9-20(23)13-12-18-14-17-15-19(16-17)21(18)10-7-4-5-8-11-22(24)25/h4,7,12-13,17-21,23H,2-3,5-6,8-11,14-16H2,1H3,(H,24,25)/b7-4-,13-12+/t17-,18-,19+,20-,21+/m0/s1
C22H36O3348.5194111200
10050579

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H36O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h13,15-19,24-25H,5-12H2,1-4H3/t13-,15+,16-,17-,18+,19+,20+,21+,22+/m1/s1
C22H36O3348.519411700
101331
InChI=1/C22H36O3/c1-3-5-7-9-11-12-14-18-16-22(25)19(17-21(18)24)20(23)15-13-10-8-6-4-2/h16-17,24-25H,3-15H2,1-2H3
C22H36O3348.5194101100
72391206

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8-,18-12+
C22H36O3348.5194101400
152510

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H36O3/c1-8-11-12-19(20(23)24)25-18-14-13-16(21(4,5)9-2)15-17(18)22(6,7)10-3/h13-15,19H,8-12H2,1-7H3,(H,23,24)
C22H36O3348.519491200
3288953
InChI=1/C22H36O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-21(23)20-18-19(25-4-2)16-17-22(20)24/h16-18,24H,3-15H2,1-2H3
C22H36O3348.51949600
10051800

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C22H36O3/c1-21-10-8-16(23)12-14(21)4-6-17-18-7-5-15(13-20(24)25-3)22(18,2)11-9-19(17)21/h14-19,23H,4-13H2,1-3H3/t14-,15+,16-,17-,18-,19-,21-,22+/m0/s1
C22H36O3348.51949600
10050569

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C22H36O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h13,15-19,24-25H,5-12H2,1-4H3/t13-,15-,16+,17+,18-,19-,20-,21-,22-/m0/s1
C22H36O3348.51949500
34980877

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8-,18-12-
C22H36O3348.51949800
12345

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