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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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Single/Multi-component
Isotopically Labeled
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Found 117 results

Search term: C28H42O2 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
72962
InChI=1/C28H42O2/c1-25(2,3)17-13-19(23(29)21(15-17)27(7,8)9)20-14-18(26(4,5)6)16-22(24(20)30)28(10,11)12/h13-16,29-30H,1-12H3
C28H42O2410.6319766101
60529
InChI=1/C28H42O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3
C28H42O2410.6319625610
4445513

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
C28H42O2410.631957677036
72842
InChI=1/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(29)30-27-23-22-25-19-17-18-20-26(25)24-27/h17-20,22-24H,2-16,21H2,1H3
C28H42O2410.6319554301
4445514

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
C28H42O2410.6319536200
3804407
InChI=1/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-28(29)30-27-23-19-21-25-20-17-18-22-26(25)27/h17-23H,2-16,24H2,1H3
C28H42O2410.631880000001262100
8020185

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+
C28H42O2410.6319181900
8085171

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+
C28H42O2410.6319181300
4512566

Double-bond stereo
InChI=1/C28H42O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-19,28H,10-11,14-15,20-22H2,1-6H3/b25-18+,26-19+
C28H42O2410.6319152200
21165557
InChI=1/C28H42O2/c1-15(2)20-11-22(17(5)6)27(29)24(13-20)26(19(9)10)25-14-21(16(3)4)12-23(18(7)8)28(25)30/h11-19,26,29-30H,1-10H3
C28H42O2410.6319111200
24751268
InChI=1/C28H42O2/c1-3-5-7-9-11-13-23-29-27-19-15-25(16-20-27)26-17-21-28(22-18-26)30-24-14-12-10-8-6-4-2/h15-22H,3-14,23-24H2,1-2H3
C28H42O2410.631910800
207438
InChI=1/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-30-28(29)24-26-21-18-20-25-19-15-16-22-27(25)26/h15-16,18-22H,2-14,17,23-24H2,1H3
C28H42O2410.631910600
4810241

Double-bond stereo
InChI=1/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h11,13,15,17,19,29-30H,8-10,12,14,16,18H2,1-7H3/b21-13+,22-15+,23-17+
C28H42O2410.631991100
148340
InChI=1/C28H42O2/c1-25(2,3)19-13-17(29)14-20(26(4,5)6)23(19)24-21(27(7,8)9)15-18(30)16-22(24)28(10,11)12/h13-16,29-30H,1-12H3
C28H42O2410.63199900
29278620

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3
C28H42O2410.63198700
29319927

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-23,29H,9-15H2,1-6H3/b8-7+/t18-,19+,21-,22+,23-,27-,28+/m0/s1
C28H42O2410.63198600
214319
InChI=1/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23-27(29)25-21-18-19-22-26(25)28(24)30/h18-19,21-23H,2-17,20H2,1H3
C28H42O2410.63198600
3846726
InChI=1/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27(29)26-23-22-24-19-17-18-20-25(24)28(26)30/h17-20,22-23,30H,2-16,21H2,1H3
C28H42O2410.63198500
73602

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C28H42O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-19,28H,10-11,14-15,20-22H2,1-6H3
C28H42O2410.63197700
4943530

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-23,29H,9-15H2,1-6H3/b8-7+/t18?,19-,21?,22-,23+,27+,28-/m1/s1
C28H42O2410.63197600
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