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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 187 results

Search term: C29H44O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
92069

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H44O5/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/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/s1
C29H44O5472.65674145853
196292

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H44O5/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/h16-17,19-24,26H,6-15H2,1-5H3
C29H44O5472.6567121100
17466380

10 of 12 defined stereocentres - 10/12 defined
InChI=1/C29H44O5/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/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17+,19+,20-,21-,22?,23?,24+,26+,27+,28-,29-/m1/s1
C29H44O5472.65679500
78317663

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O5/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/h8,17,19-23,30H,6-7,9-16H2,1-5H3,(H,32,33)/b18-8+/t17-,19+,20-,21+,22+,23+,26+,27-,28-,29+/m1/s1
C29H44O5472.65679800
26636880

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C29H44O5/c1-8-29(9-2,23-11-13-26(21(4)17-23)34-24(18-31)14-15-30)22-10-12-25(20(3)16-22)33-19-27(32)28(5,6)7/h10-13,16-17,24,27,30-32H,8-9,14-15,18-19H2,1-7H3/t24-,27+/m1/s1
C29H44O5472.65676600
2005845

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H44O5/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/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17-,19-,20-,21+,22-,23-,24-,26-,27-,28+,29+/m0/s1
C29H44O5472.6566600000016400
5140767

2 of 12 defined stereocentres - 2/12 defined
InChI=1/C29H44O5/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/h16-17,19-24,26H,6-15H2,1-5H3/t16?,17-,19-,20?,21?,22?,23?,24?,26?,27?,28?,29?/m0/s1
C29H44O5472.65676400
17612934

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H44O5/c1-8-26(4)13-9-14-27(5)20(26)12-15-28(6)21-11-10-19(17(2)30)24(25(32)33)29(21,7)23(16-22(27)28)34-18(3)31/h10,20-24H,8-9,11-16H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,24+,26-,27-,28-,29+/m0/s1
C29H44O5472.65675600
16737266

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C29H44O5/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/h16-17,19-24,26H,6-15H2,1-5H3/t16-,17-,19-,20-,21+,22-,23-,24-,26-,27-,28+,29?/m0/s1
C29H44O5472.656753856
26378870

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C29H44O5/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/h16-23,30-31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,21+,22-,23+,28+,29-/m1/s1
C29H44O5472.65675500
20169597

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H44O5/c1-17(30)33-23-15-22-27(5)13-8-12-26(3,4)20(27)11-14-28(22,6)21-10-9-19-16-32-25(34-18(2)31)24(19)29(21,23)7/h9,20-25H,8,10-16H2,1-7H3/t20-,21-,22+,23-,24+,25-,27-,28-,29+/m0/s1
C29H44O5472.65674401
8680041

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H44O5/c1-8-26(4)19-11-13-28(6)20-10-9-18-16(2)33-25(32)24(18)29(20,7)23(34-17(3)30)15-21(28)27(19,5)14-12-22(26)31/h9,16,19-21,23-25,32H,8,10-15H2,1-7H3/t16-,19-,20-,21+,23-,24+,25+,26+,27-,28-,29+/m0/s1
C29H44O5472.65674300
9013494

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H44O5/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/h15-16,18-19,21,23-25H,7-14,17H2,1-6H3/t19-,21+,23-,24+,25+,27-,28-,29+/m1/s1
C29H44O5472.65674300
9640451

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O5/c1-16(2)17-10-13-29(22(30)31)15-14-26(5)18(21(17)29)8-9-20-27(26,6)12-11-19-25(3,4)23(32)34-24(33)28(19,20)7/h17-21,24,33H,1,8-15H2,2-7H3,(H,30,31)/t17-,18+,19-,20-,21+,24-,26+,27+,28-,29-/m0/s1
C29H44O5472.65674300
9880261

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H44O5/c1-16-9-12-29(24(32)33)14-13-26(4)19(23(29)28(16,6)34)7-8-21-25(3)15-20(30)22(31)17(2)18(25)10-11-27(21,26)5/h7,16,18,20-23,30-31,34H,2,8-15H2,1,3-6H3,(H,32,33)/t16-,18+,20-,21-,22+,23-,25+,26-,27-,28-,29+/m1/s1
C29H44O5472.65674300
9894517

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O5/c1-16(30)17-9-12-29(24(33)34)14-13-27(5)18(22(17)29)7-8-20-26(4)11-10-21(32)25(2,3)23(26)19(31)15-28(20,27)6/h17-20,22-23,31H,7-15H2,1-6H3,(H,33,34)/t17-,18+,19+,20+,22+,23-,26+,27+,28+,29-/m0/s1
C29H44O5472.65674300
4572866

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C29H44O5/c1-19(10-11-21-15-22(33-7)14-20(2)24(21)34-8)16-29(32)18-27(5)12-9-13-28(27,6)25(30)23(29)17-26(3,4)31/h10,14-15,23,31-32H,9,11-13,16-18H2,1-8H3/b19-10+/t23?,27-,28+,29?/m1/s1
C29H44O5472.65674400
4579277

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H44O5/c1-16(2)20-9-7-18(5)13-25(20)33-27(30)15-22-23-11-12-24(32-23)28(22)29(31)34-26-14-19(6)8-10-21(26)17(3)4/h11-12,15-21,23-26,28H,7-10,13-14H2,1-6H3/b22-15-/t18-,19-,20+,21+,23+,24-,25-,26-,28?/m1/s1
C29H44O5472.65674400
547193

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H44O5/c1-16-12-25(31)29(32-15-16)17(2)26-24(34-29)14-23-21-7-6-19-13-20(33-18(3)30)8-10-27(19,4)22(21)9-11-28(23,26)5/h16-17,19-24,26H,6-15H2,1-5H3
C29H44O5472.65674500
13080430

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C29H44O5/c1-7-28(5,8-2)34-27(32)18-33-20(4)24-13-14-25-21(10-9-15-29(24,25)6)11-12-22-16-23(30)17-26(31)19(22)3/h11-13,20,23,25-26,30-31H,3,7-10,14-18H2,1-2,4-6H3/b21-11+,22-12-/t20-,23+,25?,26-,29+/m0/s1
C29H44O5472.65673300
12345

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