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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 255 results

Search term: C27H39NO3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9694

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
C27H39NO3425.603577854461
192833

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3
C27H39NO3425.6035264100
3503763

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO3/c1-6-30-24-12-9-22(17-25(24)29-5)19-28-15-13-27(23-10-7-21(4)8-11-23)14-16-31-26(18-27)20(2)3/h7-12,17,20,26,28H,6,13-16,18-19H2,1-5H3
C27H39NO3425.6034616900
2941758

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H39NO3/c1-19(2)27(24-10-14-26(15-11-24)31-21(5)6)16-17-28(22(7)29)18-23-8-12-25(13-9-23)30-20(3)4/h8-15,19-21,27H,16-18H2,1-7H3
C27H39NO3425.6034615800
3550796

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO3/c1-4-5-9-18-31-25-14-12-24(13-15-25)27(29,22(2)3)26(23-10-7-6-8-11-23)21-28-16-19-30-20-17-28/h6-8,10-15,22,26,29H,4-5,9,16-21H2,1-3H3
C27H39NO3425.6034614900
2961292

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO3/c1-20(2)26-18-27(15-17-30-26,24-8-6-7-9-25(24)29-5)14-16-28-19-22-10-12-23(13-11-22)31-21(3)4/h6-13,20-21,26,28H,14-19H2,1-5H3
C27H39NO3425.60346131100
9815205

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H39NO3/c1-4-5-8-17-27(30)31-21-26(29)25(18-22(2)3)28(19-23-13-9-6-10-14-23)20-24-15-11-7-12-16-24/h6-7,9-16,22,25-26,29H,4-5,8,17-21H2,1-3H3/t25-,26-/m0/s1
C27H39NO3425.6035131000
9815206

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H39NO3/c1-4-5-8-17-27(30)31-21-26(29)25(18-22(2)3)28(19-23-13-9-6-10-14-23)20-24-15-11-7-12-16-24/h6-7,9-16,22,25-26,29H,4-5,8,17-21H2,1-3H3/t25-,26+/m0/s1
C27H39NO3425.6035131000
10958783
InChI=1/C27H39NO3/c1-8-26(3,4)20-15-16-24(23(18-20)27(5,6)9-2)31-17-11-14-25(29)28-21-12-10-13-22(19-21)30-7/h10,12-13,15-16,18-19H,8-9,11,14,17H2,1-7H3,(H,28,29)
C27H39NO3425.603511700
4088642

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H39NO3/c1-20(2)31-24-13-11-23(12-14-24)25(22-8-6-5-7-9-22)16-17-28-19-21-10-15-26(29-3)27(18-21)30-4/h10-15,18,20,22,25,28H,5-9,16-17,19H2,1-4H3
C27H39NO3425.6034611800
2742397

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H39NO3/c1-25(2,3)21-10-20(11-22(12-21)26(4,5)6)24(30)31-16-23(29)28-27-13-17-7-18(14-27)9-19(8-17)15-27/h10-12,17-19H,7-9,13-16H2,1-6H3,(H,28,29)
C27H39NO3425.6034610500
17943492

Double-bond stereo
InChI=1/C27H39NO3/c1-2-3-4-5-6-7-8-9-10-11-15-18-26(28-30)25-20-19-24(21-27(25)29)31-22-23-16-13-12-14-17-23/h12-14,16-17,19-21,29-30H,2-11,15,18,22H2,1H3/b28-26+
C27H39NO3425.603510700
20464102

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO3/c1-3-5-9-19-31-25-14-12-24(13-15-25)27(29,16-4-2)26(23-10-7-6-8-11-23)22-28-17-20-30-21-18-28/h6-8,10-15,26,29H,3-5,9,16-22H2,1-2H3
C27H39NO3425.60359800
20464103

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO3/c1-4-15-27(29,24-10-12-25(13-11-24)31-18-14-22(2)3)26(23-8-6-5-7-9-23)21-28-16-19-30-20-17-28/h5-13,22,26,29H,4,14-21H2,1-3H3
C27H39NO3425.60359800
4479969

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO3/c1-3-5-6-10-17-27(29,24-13-15-25(16-14-24)31-4-2)26(23-11-8-7-9-12-23)22-28-18-20-30-21-19-28/h7-9,11-16,26,29H,3-6,10,17-22H2,1-2H3
C27H39NO3425.60359700
7873941

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C27H39NO3/c1-17(29)27-12-6-5-7-20(27)16-24-22-9-8-19-15-21(28-31-18(2)30)10-13-25(19,3)23(22)11-14-26(24,27)4/h15,20,22-24H,5-14,16H2,1-4H3/b28-21+/t20-,22?,23?,24?,25+,26+,27+/m1/s1
C27H39NO3425.60359500
4057308

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO3/c1-21(2)31-25-12-10-23(11-13-25)17-28-18-24(19-29)27(14-15-30-26(3,4)20-27)16-22-8-6-5-7-9-22/h5-13,21,24,28-29H,14-20H2,1-4H3
C27H39NO3425.603468400
20304112

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO3/c1-21(2)14-17-31-25-12-10-24(11-13-25)27(29,22(3)4)26(23-8-6-5-7-9-23)20-28-15-18-30-19-16-28/h5-13,21-22,26,29H,14-20H2,1-4H3
C27H39NO3425.60358600
10840799

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H22O3.C9H17N/c19-17(20)11-21-16-3-1-15(2-4-16)18-8-12-5-13(9-18)7-14(6-12)10-18;1-6(10)9-5-7-2-3-8(9)4-7/h1-4,12-14H,5-11H2,(H,19,20);6-9H,2-5,10H2,1H3
C27H39NO3425.60358500
21596689

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H39NO3/c1-3-4-5-6-10-17-27(29,24-13-15-25(30-2)16-14-24)26(23-11-8-7-9-12-23)22-28-18-20-31-21-19-28/h7-9,11-16,26,29H,3-6,10,17-22H2,1-2H3
C27H39NO3425.60357400
12345

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