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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 153 results

Search term: C28H40O8 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34645

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1
C28H40O8504.61245910791690
146810

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1
C28H40O8504.6124262500
398603

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26+,27-,28-/m1/s1
C28H40O8504.6124151500
2577841
InChI=1/C28H40O8/c1-3-23-5-7-25-27(21-23)35-19-15-31-11-9-30-14-18-34-26-8-6-24(4-2)22-28(26)36-20-16-32-12-10-29-13-17-33-25/h5-8,21-22H,3-4,9-20H2,1-2H3
C28H40O8504.6124141000
10182484

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H40O8/c1-15-25(29)21(31-4)12-23(34-15)35-18-9-10-27(2)17(11-18)6-7-19-20(27)8-5-16-13-32-28(3)24(16)22(14-33-28)36-26(19)30/h6,13,15,18-25,29H,5,7-12,14H2,1-4H3/t15-,18+,19-,20+,21-,22-,23+,24-,25-,27+,28+/m1/s1
C28H40O8504.6124141200
4479436

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H40O8/c1-14-12-21(34-17(4)30)25-26(36-19(6)32)24-15(2)20(33-16(3)29)10-11-28(24,9)13-22(35-18(5)31)23(14)27(25,7)8/h20-22,24-26H,2,10-13H2,1,3-9H3/t20-,21-,22-,24-,25-,26-,28-/m0/s1
C28H40O8504.6124111100
9224574

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1
C28H40O8504.612410800
437435

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3
C28H40O8504.61248500
4384232
InChI=1/C28H40O8/c1-25(2)17(29)9-11-19(31)26(3,4)21(33)13-15-23(35)28(7,8)24(36)16-14-22(34)27(5,6)20(32)12-10-18(25)30/h9-16H2,1-8H3
C28H40O8504.61247600
8499318

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C28H40O8/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-28-22(29)14-21(25(33)26(28)36-28)17-35-24(32)16-27(5,34)15-23(30)31/h8,10,12,14,25-26,33-34H,6-7,9,11,13,15-17H2,1-5H3,(H,30,31)/b19-10+,20-12+/t25-,26-,27?,28+/m1/s1
C28H40O8504.61246600
115932

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C28H40O8/c1-15(30)28(36-16(2)31)12-9-21-19-6-5-17-13-18(34-25-24(33)23(32)22(14-29)35-25)7-10-26(17,3)20(19)8-11-27(21,28)4/h5-6,13,18-25,29,32-33H,7-12,14H2,1-4H3/t18-,19+,20-,21-,22-,23-,24+,25+,26-,27-,28-/m0/s1
C28H40O8504.61246500
9180848

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H40O8/c1-16-7-8-19-25(2,3)9-6-10-27(19,5)18(16)12-28-20(29)11-17(23(33)24(28)36-28)15-35-22(32)14-26(4,34)13-21(30)31/h11,18-19,23-24,33-34H,1,6-10,12-15H2,2-5H3,(H,30,31)/t18-,19-,23+,24+,26-,27+,28-/m0/s1
C28H40O8504.61245411
8204692

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H40O8/c1-10-13(2)25(32)35-20-14(3)11-27-23(30)15(4)12-28(27,36-27)24(31)16(5)21(34-17(6)29)18-19(22(20)33-9)26(18,7)8/h10-11,15-16,18-23,30H,12H2,1-9H3/b13-10-,14-11+/t15-,16+,18-,19+,20+,21-,22+,23-,27-,28-/m0/s1
C28H40O8504.61245400
9737232

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C28H40O8/c1-24(2)8-6-9-26(4)18(24)7-10-27(5)19(26)11-17-23(33)22(32)16(12-28(17,27)35)15-36-21(31)14-25(3,34)13-20(29)30/h12,17-19,34-35H,6-11,13-15H2,1-5H3,(H,29,30)/t17-,18+,19-,25?,26+,27+,28-/m1/s1
C28H40O8504.61245400
17267181

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H40O8/c1-8-10-24(32)35-20-14-21-25(33-18(5)29)36-26(34-19(6)30)28(21)22(15-20)27(7,12-11-16(3)9-2)17(4)13-23(28)31/h9,14,17,20,22-23,25-26,31H,2-3,8,10-13,15H2,1,4-7H3/t17-,20+,22+,23+,25+,26-,27-,28-/m1/s1
C28H40O8504.61245600
62992968

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21-,22+,23-,25+,26+,27-,28-/m1/s1
C28H40O8504.61245400
553025

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H40O8/c1-9-16(4)10-11-27(8)17(5)12-23(31)28-21(13-20(14-22(27)28)35-24(32)15(2)3)25(33-18(6)29)36-26(28)34-19(7)30/h9-10,13,15,17,20,22-23,25-26,31H,1,11-12,14H2,2-8H3/b16-10+/t17-,20-,22+,23+,25+,26-,27-,28-/m1/s1
C28H40O8504.61245400
289842

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3
C28H40O8504.61245400
291863

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H40O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-18,20-21,30,32-35H,8-14H2,1-5H3
C28H40O8504.61245400
77678

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C28H40O8/c1-26-12-10-18(29)14-17(26)8-9-19-20-11-13-28(35,27(20,2)15-21(30)25(19)26)22(31)16-36-24(34)7-5-3-4-6-23(32)33/h14,19-21,25,30,35H,3-13,15-16H2,1-2H3,(H,32,33)/t19-,20-,21-,25+,26-,27-,28-/m0/s1
C28H40O8504.61244400
12345

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