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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 261 results

Search term: C28H38O7 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4447657

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
C28H38O7486.5971445010
4938689

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+/t21-,25+/m0/s1
C28H38O7486.5971434520
5144616

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C28H38O7/c1-15-13-19-25(6,28(23(33)34-8)22(32)16(2)21(31)26(15,28)7)11-9-18-24(4,5)20(35-17(3)30)10-12-27(18,19)14-29/h13-14,16,18-20H,9-12H2,1-8H3/t16?,18-,19-,20+,25+,26+,27+,28-/m1/s1
C28H38O7486.5971242000
28425474

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3/t18-,19-,22-,23-,28-/m1/s1
C28H38O7486.5971171300
32698034

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H38O7/c1-16(29)34-20-9-11-26(3)19(13-20)6-7-22-21(26)10-12-27(4)25(18-5-8-24(31)33-15-18)23(35-17(2)30)14-28(22,27)32/h5,8,15,19-23,25,32H,6-7,9-14H2,1-4H3/t19-,20+,21+,22-,23+,25+,26+,27-,28+/m1/s1
C28H38O7486.5971131400
266675

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H38O7/c1-15-13-20(34-22(30)16(15)2)25(5,31)28(33)12-11-26(32)18-14-21-27(35-21)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,31-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1
C28H38O7486.5971121000
9267270

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H38O7/c1-15-13-22(35-23(31)16(15)2)26(5,32)28(34)12-11-27(33)19-14-20(29)18-7-6-8-21(30)25(18,4)17(19)9-10-24(27,28)3/h6-8,17,19-20,22,29,32-34H,9-14H2,1-5H3/t17-,19+,20+,22+,24-,25+,26-,27+,28-/m0/s1
C28H38O7486.5971111000
33823932

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H38O7/c1-15-23(29)20(30-4)12-22(33-15)34-17-7-9-26(2)16(11-17)5-6-18-19(26)8-10-28-14-32-27(3)24(28)21(13-31-27)35-25(18)28/h5-6,11,15,17,19-24,29H,7-10,12-14H2,1-4H3/t15-,17+,19+,20-,21-,22+,23-,24-,26+,27-,28+/m1/s1
C28H38O7486.597110800
28424250

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3/t18-,19+,22-,23-,28-/m1/s1
C28H38O7486.597110700
32700189

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H38O7/c1-6-23(32)34-15-22(31)28(35-24(33)7-2)16(3)12-20-19-9-8-17-13-18(29)10-11-26(17,4)25(19)21(30)14-27(20,28)5/h10-11,13,16,19-21,25,30H,6-9,12,14-15H2,1-5H3/t16-,19+,20+,21+,25-,26+,27+,28+/m1/s1
C28H38O7486.597191000
24603371

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9-,12-10+,18-15-,22-16-,23-17+,24-19+
C28H38O7486.59719900
3844666
InChI=1/C28H38O7/c1-25(2)17(29)9-10-18(30)26(3,4)20(32)12-14-22(34)28(7,8)24-16-15-23(35-24)27(5,6)21(33)13-11-19(25)31/h15-16H,9-14H2,1-8H3
C28H38O7486.59719600
22461403
InChI=1/C28H38O7/c1-27(2,3)19-12-17(13-20(25(19)31)28(4,5)6)10-11-24(30)35-16-21(29)18-14-22(32-7)26(34-9)23(15-18)33-8/h12-15,31H,10-11,16H2,1-9H3
C28H38O7486.59718700
35015108

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3
C28H38O7486.597181400
57576770

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3/t18-,19-,22-,23?,28-/m1/s1
C28H38O7486.59717500
119199

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H38O7/c1-5-6-7-24(33)34-16-23(32)28(35-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22?,25+,26-,27-,28-/m0/s1
C28H38O7486.59717500
5140658

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C28H38O7/c1-15(29)33-20-13-18-24(2,3)19(30)8-10-25(18,4)17-7-11-26(5)21(16-9-12-32-14-16)34-23(31)22-28(26,35-22)27(17,20)6/h9,12,14,17-22,30H,7-8,10-11,13H2,1-6H3/t17?,18?,19-,20+,21-,22+,25+,26-,27-,28+/m0/s1
C28H38O7486.59717600
5142895

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C28H38O7/c1-15(29)34-22-11-18-25(2,3)20(30)13-21(31)27(18,5)17-7-9-26(4)19(28(17,22)6)12-23(32)35-24(26)16-8-10-33-14-16/h8,10,12,14,17-18,20-22,24,30-31H,7,9,11,13H2,1-6H3/t17?,18?,20-,21+,22-,24+,26+,27-,28-/m1/s1
C28H38O7486.59717600
4529223

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C28H38O7/c1-21(15-18-24(19-26(29)30)20-27(31)32)13-11-9-7-5-6-8-10-12-14-25(35-4)22(2)16-17-23(3)28(33)34/h6,8-12,15-19,21,25H,5,7,13-14,20H2,1-4H3,(H,29,30)(H,31,32)(H,33,34)/b8-6+,11-9+,12-10-,18-15+,22-16-,23-17+,24-19+
C28H38O7486.59717800
77484170

Double-bond stereo

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C28H38O7/c1-13(15(3)24(30)31)5-6-14(2)16-7-8-17-18-11-19-28(32)23-21(34-23)20-22(33-20)25(28,4)27(18,35-19)10-9-26(16,17)12-29/h5-6,11,13-17,19-23,29,32H,7-10,12H2,1-4H3,(H,30,31)/b6-5+
C28H38O7486.59716500
12345

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