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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 541 results

Search term: C33H34N4O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3875184

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H34N4O5/c1-19-28(32(40)37-27-11-7-8-14-35-27)29(30-23(36-19)16-33(2,3)17-24(30)38)20-12-13-25(41-4)21(15-20)18-42-26-10-6-5-9-22(26)31(34)39/h5-15,29,36H,16-18H2,1-4H3,(H2,34,39)(H,35,37,40)
C33H34N4O5566.646913900
18395793

Double-bond stereo
InChI=1/C33H34N4O5/c1-3-40-24-12-13-28(41-4-2)27(19-24)36-32(39)26-18-22-16-20-9-6-14-37-15-7-11-25(29(20)37)30(22)42-33(26)35-23-10-5-8-21(17-23)31(34)38/h5,8,10,12-13,16-19H,3-4,6-7,9,11,14-15H2,1-2H3,(H2,34,38)(H,36,39)/b35-33-
C33H34N4O5566.646912900
17470910

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H34N4O5/c1-20(2)42-18-6-17-34-31(38)22-9-13-23(14-10-22)36-32(39)28-19-26-25-7-4-5-8-27(25)35-29(26)30(37(28)33(36)40)21-11-15-24(41-3)16-12-21/h4-5,7-16,20,28,30,35H,6,17-19H2,1-3H3,(H,34,38)/t28-,30?/m0/s1
C33H34N4O5566.646911800
17471370

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H34N4O5/c1-20(2)42-18-8-17-34-31(38)24-10-5-7-12-27(24)37-32(39)28-19-25-23-9-4-6-11-26(23)35-29(25)30(36(28)33(37)40)21-13-15-22(41-3)16-14-21/h4-7,9-16,20,28,30,35H,8,17-19H2,1-3H3,(H,34,38)/t28-,30?/m0/s1
C33H34N4O5566.646911800
17471424

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H34N4O5/c1-20(2)42-17-7-16-34-31(38)21-12-14-23(15-13-21)36-32(39)28-19-26-25-10-4-5-11-27(25)35-29(26)30(37(28)33(36)40)22-8-6-9-24(18-22)41-3/h4-6,8-15,18,20,28,30,35H,7,16-17,19H2,1-3H3,(H,34,38)/t28-,30?/m0/s1
C33H34N4O5566.646911800
17471554

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C33H34N4O5/c1-20(2)42-17-9-16-34-31(38)24-13-5-7-15-27(24)37-32(39)28-19-25-23-12-4-6-14-26(23)35-29(25)30(36(28)33(37)40)21-10-8-11-22(18-21)41-3/h4-8,10-15,18,20,28,30,35H,9,16-17,19H2,1-3H3,(H,34,38)/t28-,30?/m0/s1
C33H34N4O5566.646911800
22223264

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H34N4O5/c1-33(2,40)16-15-22-11-13-23(14-12-22)19-34-25-18-27-28(36-31(38)24-8-5-4-6-9-24)29(32(39)41-3)37(30(27)35-20-25)21-26-10-7-17-42-26/h4-6,8-9,11-14,18,20,26,34,40H,7,10,17,19,21H2,1-3H3,(H,36,38)
C33H34N4O5566.646910900
23326454

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H34N4O5/c1-18-30(4,5)36-23-14-10-8-12-21(23)31(40)27(42-6)32(41)28(39)35-16-15-29(2,3)25-20(19-11-7-9-13-22(19)34-25)17-24(35)26(38)37(32)33(18,31)36/h7-18,27,34,40-41H,1-6H3/b16-15-,24-17-/t18-,27+,31+,32+,33+/m1/s1
C33H34N4O5566.646910800
5012106

Double-bond stereo
InChI=1/C33H34N4O5/c1-33(2,3)21-15-13-19(14-16-21)17-20-9-8-11-23-26(22-10-6-7-12-24(22)35-28(20)23)31(40)42-18-25(38)27-29(34)36(4)32(41)37(5)30(27)39/h6-7,10,12-17H,8-9,11,18,34H2,1-5H3/b20-17+
C33H34N4O5566.64699600
18494061

Double-bond stereo
InChI=1/C33H34N4O5/c1-20-10-11-26-25(14-20)21(18-35-26)12-13-34-33(39)27(15-23-19-37(2)28-9-7-6-8-24(23)28)36-32(38)22-16-29(40-3)31(42-5)30(17-22)41-4/h6-11,14-19,35H,12-13H2,1-5H3,(H,34,39)(H,36,38)/b27-15-
C33H34N4O5566.64699700
17540068

Double-bond stereo
InChI=1/C33H34N4O5/c1-5-37-20-23(25-11-7-9-13-28(25)37)16-27(33(39)34-15-14-21-19-35-26-12-8-6-10-24(21)26)36-32(38)22-17-29(40-2)31(42-4)30(18-22)41-3/h6-13,16-20,35H,5,14-15H2,1-4H3,(H,34,39)(H,36,38)/b27-16-
C33H34N4O5566.64699700
2217089

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C33H34N4O5/c1-19(2)17-25-28-29(31(40)37(30(28)39)22-13-15-23(42-4)16-14-22)33(35-25)24-7-5-6-8-26(24)36(32(33)41)18-27(38)34-21-11-9-20(3)10-12-21/h5-16,19,25,28-29,35H,17-18H2,1-4H3,(H,34,38)
C33H34N4O5566.6468599999989700
2339237

Double-bond stereo
InChI=1/C33H34N4O5/c1-6-20-16(2)26-13-31-23(15-38)19(5)25(37-31)11-24-17(3)21(7-9-32(39)40)29(35-24)14-30-22(8-10-33(41)42)18(4)27(36-30)12-28(20)34-26/h6,11-14,34,36,38H,1,7-10,15H2,2-5H3,(H,39,40)(H,41,42)/b24-11-,25-11-,26-13-,27-12-,28-12-,29-14-,30-14-,31-13-
C33H34N4O5566.6468599999988700
401179

Double-bond stereo
InChI=1/C33H34N4O5/c1-6-20-16(2)24-11-25-17(3)21(7-9-32(39)40)29(35-25)14-30-22(8-10-33(41)42)18(4)26(36-30)13-31-23(15-38)19(5)27(37-31)12-28(20)34-24/h6,11-14,34,36,38H,1,7-10,15H2,2-5H3,(H,39,40)(H,41,42)/b24-11-,25-11-,26-13-,27-12-,28-12-,29-14-,30-14-,31-13-
C33H34N4O5566.64698700
21556316

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H34N4O5/c1-4-41-33(40)25-13-10-18-36(21-25)31(38)24-12-9-14-26(19-24)35-30-29(42-28-17-8-11-22(2)23(28)3)20-34-37(32(30)39)27-15-6-5-7-16-27/h5-9,11-12,14-17,19-20,25,35H,4,10,13,18,21H2,1-3H3
C33H34N4O5566.64697600
21565321

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H34N4O5/c1-4-41-33(40)25-11-9-15-36(21-25)31(38)24-10-8-12-26(19-24)35-30-29(42-28-17-22(2)16-23(3)18-28)20-34-37(32(30)39)27-13-6-5-7-14-27/h5-8,10,12-14,16-20,25,35H,4,9,11,15,21H2,1-3H3
C33H34N4O5566.64697600
4980789

Double-bond stereo
InChI=1/C33H34N4O5/c38-29(39)15-10-22-8-12-25(13-9-22)34-32(41)33(17-4-5-18-33)36-31(40)23-11-14-28-27(20-23)35-30(24-16-19-42-21-24)37(28)26-6-2-1-3-7-26/h8-16,19-21,26H,1-7,17-18H2,(H,34,41)(H,36,40)(H,38,39)/b15-10+
C33H34N4O5566.64697700
22529594

Double-bond stereo
InChI=1/C33H34N4O5/c1-6-20-16(2)24-11-25-17(3)21(7-9-32(39)40)29(35-25)14-30-22(8-10-33(41)42)18(4)26(36-30)13-31-23(15-38)19(5)27(37-31)12-28(20)34-24/h6,11-14,35,37-38H,1,7-10,15H2,2-5H3,(H,39,40)(H,41,42)/b24-11-,25-11-,26-13-,27-12-,28-12-,29-14-,30-14-,31-13-
C33H34N4O5566.64696500
22957738

Double-bond stereo
InChI=1/C33H34N4O5/c1-3-40-24-13-14-28(41-4-2)27(19-24)36-32(39)26-18-22-17-21-7-5-15-37-16-6-8-25(29(21)37)30(22)42-33(26)35-23-11-9-20(10-12-23)31(34)38/h9-14,17-19H,3-8,15-16H2,1-2H3,(H2,34,38)(H,36,39)/b35-33-
C33H34N4O5566.64696400
22193121

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H34N4O5/c38-31(35-18-16-34(17-19-35)24-9-2-1-3-10-24)23-8-7-15-36(20-23)27-12-6-11-26-30(27)33(40)37(32(26)39)21-25-22-41-28-13-4-5-14-29(28)42-25/h1-6,9-14,23,25H,7-8,15-22H2
C33H34N4O5566.64695300
12345

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