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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 191 results

Search term: C29H39NO4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2036962

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H39NO4/c1-2-3-4-5-6-7-8-9-10-11-20-27(28(31)32)30-29(33)34-21-26-24-18-14-12-16-22(24)23-17-13-15-19-25(23)26/h12-19,26-27H,2-11,20-21H2,1H3,(H,30,33)(H,31,32)
C29H39NO4465.62426222400
962048
InChI=1/C29H39NO4/c1-8-30(9-2)17-19-12-18(10-11-22(19)33-7)25-26-20(31)13-28(3,4)15-23(26)34-24-16-29(5,6)14-21(32)27(24)25/h10-12,25H,8-9,13-17H2,1-7H3
C29H39NO4465.6243191200
1376440
InChI=1/C29H39NO4/c1-8-12-34-23-11-10-18(13-24(23)33-9-2)25-26-19(14-28(3,4)16-21(26)31)30(7)20-15-29(5,6)17-22(32)27(20)25/h10-11,13,25H,8-9,12,14-17H2,1-7H3
C29H39NO4465.6243181200
1668867
InChI=1/C29H39NO4/c1-8-9-12-34-23-11-10-18(13-24(23)33-7)25-26-19(14-28(2,3)16-21(26)31)30(6)20-15-29(4,5)17-22(32)27(20)25/h10-11,13,25H,8-9,12,14-17H2,1-7H3
C29H39NO4465.6243171200
7828029

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H39NO4/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33)/b10-5+,20-8+/t18-,19+,21-,22+,23+,25+,26+,28+/m0/s1
C29H39NO4465.6243161400
9213130

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C29H39NO4/c1-2-3-4-5-6-7-8-9-10-11-20-27(28(31)32)30-29(33)34-21-26-24-18-14-12-16-22(24)23-17-13-15-19-25(23)26/h12-19,26-27H,2-11,20-21H2,1H3,(H,30,33)(H,31,32)/t27-/m0/s1
C29H39NO4465.6243151200
2360476

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H39NO4/c1-5-6-16-33-24-15-11-10-14-21(24)26-25(28(32)34-20-12-8-7-9-13-20)19(2)30-22-17-29(3,4)18-23(31)27(22)26/h10-11,14-15,20,26,30H,5-9,12-13,16-18H2,1-4H3
C29H39NO4465.62426151000
2931860

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H39NO4/c1-28(2,3)18-13-20(19-8-10-29(4,5)21(19)14-18)23(31)15-22-25-17(9-11-30(22)6)12-24-26(27(25)32-7)34-16-33-24/h12-14,22-23,31H,8-11,15-16H2,1-7H3
C29H39NO4465.6242613900
4363073

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H39NO4/c1-20(2)22-10-12-24(13-11-22)34-19-26-25-18-28(33-4)27(32-3)17-23(25)14-15-30(26)29(31)16-21-8-6-5-7-9-21/h10-13,17-18,20-21,26H,5-9,14-16,19H2,1-4H3
C29H39NO4465.6242612900
4947831

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C29H39NO4/c1-4-20(28-18(2)13-16-25(34-28)19(3)29(32)33)8-5-10-22-15-14-21-9-6-11-23(21)26(22)27(31)24-12-7-17-30-24/h5,7-8,10,12,14-15,17-19,21-23,25-26,28,30H,4,6,9,11,13,16H2,1-3H3,(H,32,33)/b10-5+,20-8+/t18-,19+,21-,22-,23+,25+,26+,28+/m0/s1
C29H39NO4465.6243111100
9224068

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C29H39NO4/c1-2-3-4-5-6-7-8-9-10-11-20-27(28(31)32)30-29(33)34-21-26-24-18-14-12-16-22(24)23-17-13-15-19-25(23)26/h12-19,26-27H,2-11,20-21H2,1H3,(H,30,33)(H,31,32)/t27-/m1/s1
C29H39NO4465.6243101200
11164699
InChI=1/C29H39NO4/c1-28(2,3)23-17-19(18-24(27(23)34)29(4,5)6)7-12-25(32)30-15-13-21(14-16-30)26(33)20-8-10-22(31)11-9-20/h8-11,17-18,21,31,34H,7,12-16H2,1-6H3
C29H39NO4465.62439600
3633315

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H39NO4/c1-7-13-30(14-8-2)20-11-9-19(10-12-20)26-25-21(31)15-27(3,4)16-22(25)34-29(26)23(32)17-28(5,6)18-24(29)33/h9-12,26H,7-8,13-18H2,1-6H3
C29H39NO4465.624267500
27025113

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H39NO4/c1-4-5-6-7-8-9-12-21-17-24(32)27-26-19(3)16-20-14-15-23(31)28(33)25(20)18(2)11-10-13-22(26)29(34)30(21)27/h6-11,13-16,20-28,31-33H,4-5,12,17H2,1-3H3/b7-6+,9-8+,13-10-,18-11+,19-16+/t20-,21+,22+,23-,24-,25-,26+,27-,28-/m0/s1
C29H39NO4465.62436400
28945574

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C29H39NO4/c1-4-5-6-7-8-9-12-21-17-24(32)27-26-19(3)16-20-14-15-23(31)28(33)25(20)18(2)11-10-13-22(26)29(34)30(21)27/h6-11,13-16,20-28,31-33H,4-5,12,17H2,1-3H3/b7-6+,9-8+,13-10-,18-11+,19-16+/t20-,21-,22+,23-,24+,25-,26-,27+,28-/m1/s1
C29H39NO4465.62435500
2891570

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H39NO4/c1-16-11-20-21(29(5,6)17(2)28(20,3)4)13-19(16)23(31)14-22-25-18(9-10-30(22)7)12-24-26(27(25)32-8)34-15-33-24/h11-13,17,22-23,31H,9-10,14-15H2,1-8H3
C29H39NO4465.624265200
68728957

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H39NO4/c1-20(2)10-9-17-29(4)23-16-15-21(3)33-28(23)27-24(13-8-14-25(27)34-29)32-19-26(31)30-18-22-11-6-5-7-12-22/h5-8,11-14,20-21,23,28H,9-10,15-19H2,1-4H3,(H,30,31)/t21-,23-,28-,29+/m1/s1
C29H39NO4465.62434300
109120175
InChI=1/C29H39NO4/c31-28(32)20-10-8-6-4-2-1-3-5-7-9-15-21-30-29(33)34-22-27-25-18-13-11-16-23(25)24-17-12-14-19-26(24)27/h11-14,16-19,27H,1-10,15,20-22H2,(H,30,33)(H,31,32)
C29H39NO4465.62434400
29416540

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H39NO4/c1-33-29-11-10-27(15-20(29)24(32)18-4-2-3-5-18)22-14-19-8-9-21(31)25-23(19)28(27,26(29)34-25)12-13-30(22)16-17-6-7-17/h8-9,17-18,20,22,24,26,31-32H,2-7,10-16H2,1H3/t20-,22-,24-,26-,27-,28+,29-/m1/s1
C29H39NO4465.62433300
29419099

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H39NO4/c1-33-29-11-10-27(15-20(29)24(32)18-4-2-3-5-18)22-14-19-8-9-21(31)25-23(19)28(27,26(29)34-25)12-13-30(22)16-17-6-7-17/h8-9,17-18,20,22,24,26,31-32H,2-7,10-16H2,1H3/t20-,22-,24+,26-,27-,28+,29-/m1/s1
C29H39NO4465.62433300
12345

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