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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 201 results

Search term: C29H44O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4581330

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H44O4/c1-8-22(5)28(31)24(7)29(32)23(6)18-20(3)12-10-13-21(4)19-25(9-2)16-17-26-14-11-15-27(30)33-26/h10-12,15-19,21-24,26,28,31H,8-9,13-14H2,1-7H3/b12-10+,17-16+,20-18+,25-19-/t21-,22+,23-,24+,26-,28-/m1/s1
C29H44O4456.6573161800
28425460

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H44O4/c1-7-21(31)22-16-18(2)29(33-22)15-14-27(5)20-8-9-23-25(3,19(20)10-13-28(27,29)6)12-11-24(32)26(23,4)17-30/h18,22-23,30H,7-17H2,1-6H3/t18-,22+,23-,25-,26-,27+,28+,29+/m1/s1
C29H44O4456.6573161000
92106

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3/t17-,18+,21+,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
C29H44O4456.65731516014
196293

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3
C29H44O4456.6573141900
17460031

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3/t17-,18+,21-,22-,23+,24+,25+,26+,27+,28+,29-/m1/s1
C29H44O4456.657312600
148668
InChI=1/C29H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-33-25-19-21-26-24(23-25)18-20-27(28(26)30)29(31)32/h18-21,23,30H,2-17,22H2,1H3,(H,31,32)
C29H44O4456.6573121000
186681
InChI=1/C29H44O4/c1-26(2,3)18-14-19(27(4,5)6)23(31)16(22(18)30)13-17-24(32)20(28(7,8)9)15-21(25(17)33)29(10,11)12/h14-15,30-33H,13H2,1-12H3
C29H44O4456.6573111000
191335
InChI=1/C29H44O4/c1-3-5-14-20-29(33,21-15-6-4-2)22-16-10-8-7-9-11-19-25-26(30)23-17-12-13-18-24(23)27(31)28(25)32/h12-13,17-18,30,33H,3-11,14-16,19-22H2,1-2H3
C29H44O4456.657311700
17346446

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H44O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-25-24(6)26(30)28(32-7)29(33-8)27(25)31/h12,14,16,18,28-29H,9-11,13,15,17,19H2,1-8H3/b21-14+,22-16+,23-18+
C29H44O4456.65739500
17463401

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3/t17-,18+,21+,22-,23?,24?,25+,26+,27+,28+,29-/m1/s1
C29H44O4456.65738400
17466558

9 of 11 defined stereocentres - 9/11 defined
InChI=1/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26H,7-16H2,1-5H3/t17-,18+,21-,22-,23?,24?,25+,26+,27+,28+,29-/m1/s1
C29H44O4456.65738400
17466694

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C29H44O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h10,17-18,20-22,24-26H,6-9,11-16H2,1-5H3/t17-,18+,20+,21+,22-,24?,25+,26+,27+,28+,29-/m1/s1
C29H44O4456.65738400
20000381
InChI=1/C29H44O4/c1-3-5-14-20-29(33,21-15-6-4-2)22-16-10-8-7-9-11-19-25-26(30)23-17-12-13-18-24(23)27(31)28(25)32/h12-13,17-18,32-33H,3-11,14-16,19-22H2,1-2H3
C29H44O4456.65737600
10221756

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H44O4/c1-18-8-13-29(24(32)33)15-14-27(4)19(20(29)16-18)6-7-22-25(2)11-10-23(31)26(3,17-30)21(25)9-12-28(22,27)5/h6,20-23,30-31H,1,7-17H2,2-5H3,(H,32,33)/t20-,21+,22+,23-,25-,26-,27+,28+,29-/m0/s1
C29H44O4456.65737800
8822838

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C29H44O4/c1-16-9-12-29(25(32)33)14-13-27(5)20(23(29)17(16)2)7-8-22-26(4)15-21(30)24(31)18(3)19(26)10-11-28(22,27)6/h7,16-17,19,21-24,30-31H,3,8-15H2,1-2,4-6H3,(H,32,33)/t16-,17+,19+,21-,22-,23+,24-,26+,27-,28-,29+/m1/s1
C29H44O4456.65737640
8941558

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C29H44O4/c1-7-29(33-32,18(2)3)15-10-19(4)22-8-9-23-21-17-26(31)25-16-20(30)11-13-28(25,6)24(21)12-14-27(22,23)5/h7,16,18-19,21-24,32H,1,8-15,17H2,2-6H3/t19-,21+,22-,23+,24+,27-,28-,29?/m1/s1
C29H44O4456.65736500
9434635

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C29H44O4/c1-17(2)18(3)8-9-19(4)21-12-13-22-20-10-11-24-25(30)29(32,26(31)33-7)16-28(24,6)23(20)14-15-27(21,22)5/h8-9,11,17-23,32H,10,12-16H2,1-7H3/b9-8+/t18?,19-,20+,21-,22+,23+,27-,28-,29+/m1/s1
C29H44O4456.65736500
9549421

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C29H44O4/c1-21(2)10-7-11-22(3)12-8-13-23(4)14-9-15-24(5)16-17-25-18-28(31)26(19-27(25)30)20-29(32)33-6/h10,12,14,16,19,25,27,30H,7-9,11,13,15,17-18,20H2,1-6H3/b22-12+,23-14+,24-16+/t25-,27+/m1/s1
C29H44O4456.65736500
17612868

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O4/c1-7-26(4)12-8-13-27(5)21(26)11-14-28(6)22-10-9-19(17(2)30)25-20(32)16-29(22,25)24(15-23(27)28)33-18(3)31/h9,20-25,32H,7-8,10-16H2,1-6H3/t20-,21+,22+,23-,24+,25-,26+,27+,28+,29-/m1/s1
C29H44O4456.65735500
17612936

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H44O4/c1-7-26(4)12-8-13-27(5)21(26)11-14-28(6)22-10-9-19(17(2)30)25-20(32)16-29(22,25)24(15-23(27)28)33-18(3)31/h9,20-25,32H,7-8,10-16H2,1-6H3/t20-,21-,22-,23+,24-,25+,26-,27-,28-,29+/m0/s1
C29H44O4456.65735500
12345

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