Matches any text strings used to describe a molecule.
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
Additional Filters

Found 135 results

Search term: C29H42O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
33823831

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3/t17-,18-,19+,20+,21-,22+,24+,25+,26-,27+,28+,29-/m1/s1
C29H42O5470.6408121000
28287181

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H42O5/c1-17(2)10-9-14-29(8)24-12-11-18(3)23(28(24,7)15-13-25(29)34-21(6)30)16-22-26(31)19(4)20(5)33-27(22)32/h10,23-25,31H,3,9,11-16H2,1-2,4-8H3/t23-,24-,25+,28-,29+/m1/s1
C29H42O5470.6408101000
17466929

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H42O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h14,16-17,19-21,23-24,26H,6-13,15H2,1-5H3/t16-,17+,19+,20+,21-,23?,24+,26+,27+,28-,29-/m1/s1
C29H42O5470.64089500
78317662

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H42O5/c1-17(7-6-8-18(2)25(32)33)20-11-13-26(4)22-12-14-29-19(3)21(30)9-10-23(29)28(22,16-34-29)24(31)15-27(20,26)5/h8,17,19-20,22-23H,6-7,9-16H2,1-5H3,(H,32,33)/b18-8+/t17-,19+,20-,22+,23+,26+,27-,28-,29+/m1/s1
C29H42O5470.64089800
4483826

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C29H42O5/c1-20(2)10-9-17-29(7,33)28(34-24(6)30)16-14-22(4)12-8-11-21(3)13-15-25-19-26(31)23(5)18-27(25)32/h10,12-13,18-19,28,33H,8-9,11,14-17H2,1-7H3/b21-13+,22-12+/t28-,29+/m1/s1
C29H42O5470.64087600
8225974

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,23+,28+,29-/m1/s1
C29H42O5470.64085400
154309

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H42O5/c1-6-7-8-9-26(32)33-22-12-15-27(4)21(18-22)10-11-23-24(27)13-16-28(5)25(23)14-17-29(28,19(2)30)34-20(3)31/h10-11,18,22-25H,6-9,12-17H2,1-5H3/t22-,23+,24-,25-,27-,28-,29-/m0/s1
C29H42O5470.64085500
10194525

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C29H42O5/c1-14-7-10-28-12-11-27(6)26(5)9-8-17-16(3)19(31)18(30)13-25(17,4)22(26)20-23(33-20)29(27,34-24(28)32)21(28)15(14)2/h14-15,17-23,30-31H,3,7-13H2,1-2,4-6H3/t14-,15+,17+,18-,19-,20+,21-,22-,23+,25+,26-,27+,28+,29-/m1/s1
C29H42O5470.64085500
26375603

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-22,30H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,22-,28+,29-/m1/s1
C29H42O5470.64085600
26379926

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,23-,28+,29-/m1/s1
C29H42O5470.64085500
16735666

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H42O5/c1-15(2)19-14-24(32)34-27(19)26(33)16(3)20-6-7-21-25-22(9-11-29(20,21)5)28(4)10-8-18(30)12-17(28)13-23(25)31/h13-16,18,20-22,25-27,30,33H,6-12H2,1-5H3/t16-,18-,20+,21-,22-,25-,26-,27+,28-,29+/m0/s1
C29H42O5470.64085833840
31129173

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17+,18+,19-,20+,21+,23+,28+,29-/m1/s1
C29H42O5470.64085500
17463160

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C29H42O5/c1-16(2)22-17-15-21-27(3)12-8-13-28(4,26(31)34-7)20(27)11-14-29(21,25(22)30)24-19(33-6)10-9-18(32-5)23(17)24/h9-10,16-17,20-22,25,30H,8,11-15H2,1-7H3/t17?,20?,21?,22?,25?,27-,28-,29?/m0/s1
C29H42O5470.64084100
28482965

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H42O5/c1-6-7-17-25-18-9-8-10-19-26(33-5)29(32)28(31)24(4)16-12-15-22(2)13-11-14-23(3)20-21-27(30)34-25/h7-14,16-17,19-22,24-26,28-29,31-32H,6,15,18H2,1-5H3/b9-8+,13-11+,16-12+,17-7+,19-10-,21-20+,23-14+/t22-,24-,25-,26-,28-,29+/m0/s1
C29H42O5470.64084400
29215588

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H42O5/c1-18(30)33-17-29-12-7-11-26(3,4)22(29)10-13-27(5)23-9-8-20-15-32-16-21(20)28(23,6)25(14-24(27)29)34-19(2)31/h15-16,22-25H,7-14,17H2,1-6H3/t22-,23-,24-,25+,27-,28+,29+/m0/s1
C29H42O5470.64084400
62988017

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H42O5/c1-17(2)10-9-14-29(8)24-12-11-18(3)23(28(24,7)15-13-25(29)34-21(6)30)16-22-26(31)19(4)20(5)33-27(22)32/h10,23-25,31H,3,9,11-16H2,1-2,4-8H3/t23-,24-,25+,28-,29+/m0/s1
C29H42O5470.64084300
10208264

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H42O5/c1-18(2)8-7-9-19(3)29-15-14-28(34-29)23-11-10-21-16-22(31)12-13-26(21,5)24(23)17-25(32-20(4)30)27(28,6)33-29/h12-13,16,18-19,23-25H,7-11,14-15,17H2,1-6H3/t19-,23-,24+,25+,26+,27+,28-,29+/m1/s1
C29H42O5470.64084400
219118

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C29H42O5/c1-16(30)27-22(20-7-5-6-8-25(20)32)14-24-21-10-9-18-13-19(34-17(2)31)11-12-28(18,3)23(21)15-26(33)29(24,27)4/h18-24,27H,5-15H2,1-4H3
C29H42O5470.64084300
9572166

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H42O5/c1-16-6-11-29(32-15-16)17(2)26-24(34-29)14-22-25-21(8-10-28(22,26)5)27(4)9-7-20(33-18(3)30)12-19(27)13-23(25)31/h13,16-17,20-22,24-26H,6-12,14-15H2,1-5H3/t16-,17+,20+,21+,22+,24+,25-,26+,27+,28+,29-/m1/s1
C29H42O5470.64084200
9973260

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H42O5/c1-18(2)8-7-9-19(3)23-10-11-24(27(23,5)14-15-30)22-16-25-29(34-25)17-21(33-20(4)31)12-13-28(29,6)26(22)32/h7,9,15-16,18-19,21,23-25H,8,10-14,17H2,1-6H3/b9-7+/t19-,21+,23-,24+,25+,27-,28-,29+/m1/s1
C29H42O5470.64084300
12345

Advertisement