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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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Single/Multi-component
Isotopically Labeled
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Found 63 results

Search term: C29H40O2 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6241
InChI=1/C29H40O2/c1-20-15-22(26(30)24(17-20)28(3)11-7-5-8-12-28)19-23-16-21(2)18-25(27(23)31)29(4)13-9-6-10-14-29/h15-18,30-31H,5-14,19H2,1-4H3
C29H40O2420.6267634900
24957697

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C29H40O2/c1-3-5-7-9-23-11-15-25(16-12-23)26-17-19-27(20-18-26)29(30)31-28-21-13-24(14-22-28)10-8-6-4-2/h13-14,17-23,25H,3-12,15-16H2,1-2H3/t23-,25-
C29H40O2420.6267221200
3162724

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H40O2/c1-3-5-7-8-9-21-31-28-19-17-25(18-20-28)24-13-15-26(16-14-24)29(30)27-12-11-23(22-27)10-6-4-2/h13-20,23,27H,3-12,21-22H2,1-2H3
C29H40O2420.626712800
21165560
InChI=1/C29H40O2/c1-28(2,3)24-22-13-9-7-11-18(22)15-20(26(24)30)17-21-16-19-12-8-10-14-23(19)25(27(21)31)29(4,5)6/h15-16,30-31H,7-14,17H2,1-6H3
C29H40O2420.6267111300
16488290

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H40O2/c1-3-5-7-9-23-11-15-25(16-12-23)26-17-19-27(20-18-26)29(30)31-28-21-13-24(14-22-28)10-8-6-4-2/h13-14,17-23,25H,3-12,15-16H2,1-2H3
C29H40O2420.62679800
236290
InChI=1/C29H40O2/c1-26(2)13-15-28(5,6)24-18(22(30)11-9-20(24)26)17-19-23(31)12-10-21-25(19)29(7,8)16-14-27(21,3)4/h9-12,30-31H,13-17H2,1-8H3
C29H40O2420.62678600
12280355

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C29H40O2/c1-18(2)20-7-5-19(6-8-20)15-21-16-26-24-10-9-22-17-23(30)11-13-28(22,3)25(24)12-14-29(26,4)27(21)31/h5-8,15,18,22-26,30H,9-14,16-17H2,1-4H3/b21-15+
C29H40O2420.62678300
21165556
InChI=1/C29H40O2/c1-18(2)22-13-24(28(30)26(16-22)20-9-5-6-10-20)15-25-14-23(19(3)4)17-27(29(25)31)21-11-7-8-12-21/h13-14,16-21,30-31H,5-12,15H2,1-4H3
C29H40O2420.62677800
7826439

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H40O2/c1-19-7-5-8-22(15-19)16-20(2)26-12-13-27-23(9-6-14-29(26,27)4)10-11-24-17-25(30)18-28(31)21(24)3/h5,7-8,10-11,15,20,25-28,30-31H,3,6,9,12-14,16-18H2,1-2,4H3/b23-10+,24-11-/t20-,25-,26-,27+,28+,29-/m1/s1
C29H40O2420.62675600
17597414

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H40O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h10-12,14-16,18,30H,9,13,17,19H2,1-8H3/b15-10+,18-11+,21-14+,22-16+
C29H40O2420.62674600
2349598

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H40O2/c1-3-5-6-7-8-10-24-13-17-27(18-14-24)29(30)31-28-21-19-26(20-22-28)25-15-11-23(9-4-2)12-16-25/h13-14,17-23,25H,3-12,15-16H2,1-2H3
C29H40O2420.62674200
57495052

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C11H20O2.2C9H10/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-9-6-4-8(2)5-7-9;1-3-9-6-4-5-8(2)7-9/h6,10H,3-5,7-9H2,1-2H3;2*3-7H,1H2,2H3
C29H40O2420.62674400
28575383
InChI=1/C29H40O2/c1-20-11-13-24(30)22(26(20)28(3)15-7-5-8-16-28)19-23-25(31)14-12-21(2)27(23)29(4)17-9-6-10-18-29/h11-14,30-31H,5-10,15-19H2,1-4H3
C29H40O2420.62674300
28710978
InChI=1/C29H40O2/c1-27(2,21-11-13-25(30)23(19-21)28(3)15-7-5-8-16-28)22-12-14-26(31)24(20-22)29(4)17-9-6-10-18-29/h11-14,19-20,30-31H,5-10,15-18H2,1-4H3
C29H40O2420.62674300
550795
InChI=1/C29H40O2/c1-24(30)28-20-16-26(17-21-28)14-12-10-8-6-4-3-5-7-9-11-13-15-27-18-22-29(23-19-27)25(2)31/h16-23H,3-15H2,1-2H3
C29H40O2420.62673400
427053

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H40O2/c1-23-25(29(31)27-22-16-15-21-26(27)28(23)30)20-12-10-8-6-4-2-3-5-7-9-11-17-24-18-13-14-19-24/h13,15-16,18,21-22,24H,2-12,14,17,19-20H2,1H3
C29H40O2420.62672200
34255555

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H40O2/c1-20(2)10-7-11-21(3)25-17-18-26-27(16-9-19-29(25,26)4)31-28(30)24-15-8-13-22-12-5-6-14-23(22)24/h5-6,8,12-15,20-21,25-27H,7,9-11,16-19H2,1-4H3/t21-,25-,26+,27+,29-/m1/s1
C29H40O2420.62672200
34255556

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H40O2/c1-20(2)9-7-10-21(3)25-16-17-26-27(13-8-18-29(25,26)4)31-28(30)24-15-14-22-11-5-6-12-23(22)19-24/h5-6,11-12,14-15,19-21,25-27H,7-10,13,16-18H2,1-4H3/t21-,25-,26+,27+,29-/m1/s1
C29H40O2420.62672200
59755287

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H40O2/c1-18(2)20-7-5-19(6-8-20)15-21-16-26-24-10-9-22-17-23(30)11-13-28(22,3)25(24)12-14-29(26,4)27(21)31/h5-8,15,18,22-26,30H,9-14,16-17H2,1-4H3/b21-15+/t22-,23-,24+,25-,26-,28-,29-/m0/s1
C29H40O2420.62672100
1234

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