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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 163 results

Search term: C29H36O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8498375

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)/t21-,25-,26-,27+,28-,29+/m1/s1
C29H36O6480.5925414400
28685316
InChI=1/C29H36O6/c30-16-17-31-18-19-32-20-21-33-22-23-34-24-25-35-29(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,30H,16-25H2
C29H36O6480.5925252200
1403853
InChI=1/C29H36O6/c1-5-6-7-8-11-20-16-23-21-12-9-10-13-22(21)29(30)35-25(23)17-24(20)34-18-19-14-26(31-2)28(33-4)27(15-19)32-3/h14-17H,5-13,18H2,1-4H3
C29H36O6480.5925211100
2573717
InChI=1/C29H36O6/c1-7-8-9-24(32)35-20-11-10-17(12-21(20)33-6)25-26-18(30)13-28(2,3)15-22(26)34-23-16-29(4,5)14-19(31)27(23)25/h10-12,25H,7-9,13-16H2,1-6H3
C29H36O6480.5925161100
82336

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H36O6/c1-19(2)27(30)34-21(5)17-32-25-13-9-23(10-14-25)29(7,8)24-11-15-26(16-12-24)33-18-22(6)35-28(31)20(3)4/h9-16,21-22H,1,3,17-18H2,2,4-8H3
C29H36O6480.5925151700
85178
InChI=1/C29H36O6/c1-21(2)27(30)34-19-7-17-32-25-13-9-23(10-14-25)29(5,6)24-11-15-26(16-12-24)33-18-8-20-35-28(31)22(3)4/h9-16H,1,3,7-8,17-20H2,2,4-6H3
C29H36O6480.5925131200
2546564

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H36O6/c1-19(27(30)31)34-24-17-20(32-2)11-13-23(24)29-16-8-5-9-26(29)28(14-6-4-7-15-28)22-12-10-21(33-3)18-25(22)35-29/h10-13,17-19,26H,4-9,14-16H2,1-3H3,(H,30,31)
C29H36O6480.592511600
4247549

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H36O6/c1-25-6-7-26(2,24(34)35)14-21(25)29(5)11-9-27(3)17-12-19(32)23(33)16(15-30)22(17)18(31)13-20(27)28(29,4)10-8-25/h12-13,15,21,32-33H,6-11,14H2,1-5H3,(H,34,35)
C29H36O6480.59254111100
558681

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H36O6/c1-16(2)6-9-20-21(30)11-18(12-22(20)31)8-7-17-10-19-14-25-28(3,4)27(34)24(33)15-29(25,5)35-26(19)23(32)13-17/h6-8,10-13,24-25,27,30-34H,9,14-15H2,1-5H3/b8-7+/t24-,25-,27-,29-/m1/s1
C29H36O6480.59258900
8498376

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,19-14+/t17-,20-,21+,23+,24-,26+,28+,29+/m0/s1
C29H36O6480.59258600
100572

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H36O6/c1-9-27(30)34-21(5)17-32-25-13-11-23(15-19(25)3)29(7,8)24-12-14-26(20(4)16-24)33-18-22(6)35-28(31)10-2/h9-16,21-22H,1-2,17-18H2,3-8H3
C29H36O6480.592581000
3584244

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H36O6/c1-4-17-31-25-24(30)26(32-18-5-2)28(34-20-22-13-9-7-10-14-22)29(27(25)33-19-6-3)35-21-23-15-11-8-12-16-23/h4-16,24-30H,1-3,17-21H2
C29H36O6480.592547200
57256905

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,19-14-/t17-,20-,21+,23+,24-,26?,28?,29+/m0/s1
C29H36O6480.59257500
110719

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H36O6/c1-19(2)27(30)32-17-21(5)34-25-13-9-23(10-14-25)29(7,8)24-11-15-26(16-12-24)35-22(6)18-33-28(31)20(3)4/h9-16,21-22H,1,3,17-18H2,2,4-8H3
C29H36O6480.59256500
8680308
InChI=1/C29H36O6/c1-10-33-26(32)29(8,9)35-18-11-12-19-22(30)16-23(34-24(19)15-18)17-13-20(27(2,3)4)25(31)21(14-17)28(5,6)7/h11-16,31H,10H2,1-9H3
C29H36O6480.59254300
8871439

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36O6/c1-16-20(30)15-19-25(32)24-17(2)21(35-22(31)12-11-18-9-7-6-8-10-18)13-14-29(24,5)27(34)26(33)23(16)28(19,3)4/h6-12,19,21,24-27,32-34H,2,13-15H2,1,3-5H3/b12-11+/t19-,21-,24-,25+,26+,27-,29+/m0/s1
C29H36O6480.59254300
9515534

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H36O6/c1-5-6-15-23(31)26-21(14-10-11-16-30)17-22-27(29(26)34-4)24(18-25(32-2)28(22)33-3)35-19-20-12-8-7-9-13-20/h7-13,17-18,23,30-31H,5-6,14-16,19H2,1-4H3/b11-10+
C29H36O6480.59254300
9693408

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H36O6/c1-17-14-21-20(27(21,2)3)12-13-28(4)26(35-28)23-24(32)19(16-30)15-29(23,25(17)33)34-22(31)11-10-18-8-6-5-7-9-18/h5-11,14,19-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,17-14+/t19-,20+,21-,23-,24+,26-,28-,29-/m1/s1
C29H36O6480.59254300
34999291

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36O6/c1-16-12-13-21-22(28(21,5)6)14-17(2)26(32)29(35-27(33)20-10-8-7-9-11-20)15-18(3)25(34-19(4)30)23(29)24(16)31/h7-12,14,18,21-25,31H,13,15H2,1-6H3/b16-12-,17-14+/t18-,21-,22+,23-,24-,25-,29+/m0/s1
C29H36O6480.59253300
108341261

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H36O6/c1-26-13-12-23(35-24(31)9-8-19-6-4-3-5-7-19)27(2,25(32)33)22(26)11-14-28-16-20(21(17-28)18-30)10-15-29(26,28)34/h3-9,17,20,22-23,30,34H,10-16,18H2,1-2H3,(H,32,33)/b9-8+/t20-,22+,23-,26-,27+,28+,29-/m1/s1
C29H36O6480.59253300
12345

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