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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 196 results

Search term: C32H41N5O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
118591

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1
C32H41N5O5575.6984531672847
9050795

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24+,25-,26-,31+,32-/m0/s1
C32H41N5O5575.6984202111
5254725

4 of 6 defined stereocentres - 4/6 defined
InChI=1/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24?,25+,26?,31-,32+/m1/s1
C32H41N5O5575.6984171600
89473

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)
C32H41N5O5575.6984142500
16735795

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25-,27-,31+,32-/m0/s1
C32H41N5O5575.6984141740
17466187

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C32H41N5O5/c1-21-9-11-22(12-10-21)18-34-30(40)27(17-24-19-33-26-8-6-5-7-25(24)26)36-29(39)23-13-15-37(16-14-23)28(38)20-35-31(41)42-32(2,3)4/h5-12,19,23,27,33H,13-18,20H2,1-4H3,(H,34,40)(H,35,41)(H,36,39)/t27-/m0/s1
C32H41N5O5575.698413900
17466426

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C32H41N5O5/c1-20-10-12-24(13-11-20)35-28(38)21(2)34-29(39)22-14-16-37(17-15-22)30(40)27(36-31(41)42-32(3,4)5)18-23-19-33-26-9-7-6-8-25(23)26/h6-13,19,21-22,27,33H,14-18H2,1-5H3,(H,34,39)(H,35,38)(H,36,41)/t21-,27-/m0/s1
C32H41N5O5575.698413900
17465737

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C32H41N5O5/c1-5-21-10-12-24(13-11-21)35-30(40)27(18-23-19-33-26-9-7-6-8-25(23)26)36-29(39)22-14-16-37(17-15-22)28(38)20-34-31(41)42-32(2,3)4/h6-13,19,22,27,33H,5,14-18,20H2,1-4H3,(H,34,41)(H,35,40)(H,36,39)/t27-/m0/s1
C32H41N5O5575.698411700
17465910

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C32H41N5O5/c1-21(22-10-6-5-7-11-22)35-30(40)27(18-24-19-33-26-13-9-8-12-25(24)26)36-29(39)23-14-16-37(17-15-23)28(38)20-34-31(41)42-32(2,3)4/h5-13,19,21,23,27,33H,14-18,20H2,1-4H3,(H,34,41)(H,35,40)(H,36,39)/t21?,27-/m0/s1
C32H41N5O5575.698411700
21353487

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C32H41N5O5/c1-4-40-26-19-23(20-27(41-5-2)28(26)42-6-3)30(38)36-25(18-22-10-8-7-9-11-22)31(39)37-16-13-32(14-17-37)29-24(12-15-35-32)33-21-34-29/h7-11,19-21,25,35H,4-6,12-18H2,1-3H3,(H,33,34)(H,36,38)
C32H41N5O5575.698410800
13152816
InChI=1/C32H41N5O5/c1-32(2,3)42-31(39)36-16-14-23(15-17-36)29-28(22-33-37(29)25-8-12-27(41-5)13-9-25)30(38)35-20-18-34(19-21-35)24-6-10-26(40-4)11-7-24/h6-13,22-23H,14-21H2,1-5H3
C32H41N5O5575.69849800
141699

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25-,27+,31+,32-/m0/s1
C32H41N5O5575.698491000
8501271

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18?,20-,24-,25+,27+,31-,32+/m1/s1
C32H41N5O5575.69848500
32698879

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20-,24+,25-,27-,31+,32-/m0/s1
C32H41N5O5575.69848800
9528603

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C32H41N5O5/c1-20(2)27(35-29(38)21(3)36(4)5)32(41)37-18-16-26-28(37)31(40)34-25(19-23-9-7-6-8-10-23)30(39)33-17-15-22-11-13-24(42-26)14-12-22/h6-15,17,20-21,25-28H,16,18-19H2,1-5H3,(H,33,39)(H,34,40)(H,35,38)/b17-15-/t21-,25-,26-,27-,28-/m0/s1
C32H41N5O5575.69847600
22480199
InChI=1/C32H41N5O5/c1-32(2,3)42-31(39)36-15-13-23(14-16-36)29-28(22-33-37(29)24-9-11-26(40-4)12-10-24)30(38)35-19-17-34(18-20-35)25-7-6-8-27(21-25)41-5/h6-12,21-23H,13-20H2,1-5H3
C32H41N5O5575.69847600
22480210
InChI=1/C32H41N5O5/c1-32(2,3)42-31(39)36-16-14-23(15-17-36)29-26(22-33-37(29)24-10-12-25(40-4)13-11-24)30(38)35-20-18-34(19-21-35)27-8-6-7-9-28(27)41-5/h6-13,22-23H,14-21H2,1-5H3
C32H41N5O5575.69847600
22686113

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C32H41N5O5/c1-6-16-37-27(21-35-17-18-36(23(5)20-35)31(39)33-22(3)4)28(30(38)41-7-2)29(34-32(37)40)24-12-11-15-26(19-24)42-25-13-9-8-10-14-25/h6,8-15,19,22-23,29H,1,7,16-18,20-21H2,2-5H3,(H,33,39)(H,34,40)
C32H41N5O5575.69847600
22806164

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C32H41N5O5/c1-32(2,3)41-31(39)37-14-12-23(24(22-37)19-25-21-29(42-34-25)26-9-7-8-13-33-26)20-30(38)36-17-15-35(16-18-36)27-10-5-6-11-28(27)40-4/h5-11,13,21,23-24H,12,14-20,22H2,1-4H3/t23-,24-/m0/s1
C32H41N5O5575.69847500
30673572

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C32H41N5O5/c1-4-40-26-19-23(20-27(41-5-2)28(26)42-6-3)30(38)36-25(18-22-10-8-7-9-11-22)31(39)37-16-13-32(14-17-37)29-24(12-15-35-32)33-21-34-29/h7-11,19-21,25,35H,4-6,12-18H2,1-3H3,(H,33,34)(H,36,38)/t25-/m0/s1
C32H41N5O5575.69847600
12345

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