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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 365 results

Search term: C33H36N4O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444055

Double-bond stereo
InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
C33H36N4O6584.662110921623641606
245

Double-bond stereo
InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)
C33H36N4O6584.6621283200
13628097

Double-bond stereo
InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,27-14-
C33H36N4O6584.66212520300
4474753

Double-bond stereo
InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,27-14+
C33H36N4O6584.6621181400
8113912

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H36N4O6/c1-20-10-22-16-34-26-14-30(28(40-3)12-24(26)32(38)36(22)18-20)42-8-6-5-7-9-43-31-15-27-25(13-29(31)41-4)33(39)37-19-21(2)11-23(37)17-35-27/h12-17,22-23H,1-2,5-11,18-19H2,3-4H3/t22-,23-/m0/s1
C33H36N4O6584.6621141300
88298520

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H36N4O6/c1-20-10-22-16-34-26-14-30(28(40-3)12-24(26)32(38)36(22)18-20)42-8-6-5-7-9-43-31-15-27-25(13-29(31)41-4)33(39)37-19-21(2)11-23(37)17-35-27/h12-19,22-23H,5-11H2,1-4H3/t22-,23-/m0/s1
C33H36N4O6584.6621141300
2992278

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C33H36N4O6/c1-34-30(40)33(31(41)35(2)32(34)42,21-36-17-23-15-25(19-36)27-9-6-10-29(39)37(27)18-23)16-22-11-13-26(14-12-22)43-20-28(38)24-7-4-3-5-8-24/h3-14,23,25,28,38H,15-21H2,1-2H3
C33H36N4O6584.66213999999810500
4344950
InChI=1/C33H36N4O6/c38-30(34-36-32(40)22-42-28-18-16-24-10-6-8-12-26(24)20-28)14-4-2-1-3-5-15-31(39)35-37-33(41)23-43-29-19-17-25-11-7-9-13-27(25)21-29/h6-13,16-21H,1-5,14-15,22-23H2,(H,34,38)(H,35,39)(H,36,40)(H,37,41)
C33H36N4O6584.662149400
30717047

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C33H36N4O6/c1-19(38)37-26-11-9-20-15-29(41-2)32(42-3)33(43-4)31(20)23-10-12-27(28(39)16-24(23)26)36-18-30(40)34-14-13-21-17-35-25-8-6-5-7-22(21)25/h5-8,10,12,15-17,26,35H,9,11,13-14,18H2,1-4H3,(H,34,40)(H,36,39)(H,37,38)/t26-/m0/s1
C33H36N4O6584.66219900
30718066

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C33H36N4O6/c1-20(38)36-25-11-9-22-17-29(41-2)32(42-3)33(43-4)31(22)23-10-12-26(28(39)18-24(23)25)35-19-30(40)34-14-16-37-15-13-21-7-5-6-8-27(21)37/h5-8,10,12-13,15,17-18,25H,9,11,14,16,19H2,1-4H3,(H,34,40)(H,35,39)(H,36,38)/t25-/m0/s1
C33H36N4O6584.66219700
22496756
InChI=1/C33H36N4O6/c1-42-28-16-13-23(19-29(28)43-2)17-18-34-31(39)21-36-27-10-6-5-9-26(27)32(40)37(33(36)41)25-14-11-22(12-15-25)20-30(38)35-24-7-3-4-8-24/h5-6,9-16,19,24H,3-4,7-8,17-18,20-21H2,1-2H3,(H,34,39)(H,35,38)
C33H36N4O6584.66219700
30716841

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C33H36N4O6/c1-19(38)36-26-12-10-20-17-29(41-2)32(42-3)33(43-4)31(20)21-11-13-27(28(39)18-23(21)26)34-15-6-9-30(40)37-25-8-5-7-24-22(25)14-16-35-24/h5,7-8,11,13-14,16-18,26,35H,6,9-10,12,15H2,1-4H3,(H,34,39)(H,36,38)(H,37,40)/t26-/m0/s1
C33H36N4O6584.66218800
30784793

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,22-23H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13+,27-14+
C33H36N4O6584.66218700
32510518

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H36N4O6/c1-18(33(40)36-22-9-7-20-13-14-37(3)27(20)16-22)34-26-12-10-23-24(17-28(26)39)25(35-19(2)38)11-8-21-15-29(41-4)31(42-5)32(43-6)30(21)23/h7,9-10,12-18,25H,8,11H2,1-6H3,(H,34,39)(H,35,38)(H,36,40)/t18-,25-/m0/s1
C33H36N4O6584.66218600
17461121

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H36N4O6/c1-34-30(39)33(31(40)35(2)32(34)41,21-36-17-24-14-25(19-36)26-10-7-11-29(38)37(26)18-24)16-23-12-13-27(42-3)28(15-23)43-20-22-8-5-4-6-9-22/h4-13,15,24-25H,14,16-21H2,1-3H3/t24-,25+/m1/s1
C33H36N4O6584.66218900
17461644

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C33H36N4O6/c1-4-21-8-11-25(12-9-21)37-31(40)33(30(39)34-32(37)41,16-23-10-13-26(42-2)15-28(23)43-3)20-35-17-22-14-24(19-35)27-6-5-7-29(38)36(27)18-22/h5-13,15,22,24H,4,14,16-20H2,1-3H3,(H,34,39,41)/t22-,24-,33?/m1/s1
C33H36N4O6584.66218900
17461663

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C33H36N4O6/c1-4-21-8-11-25(12-9-21)37-31(40)33(30(39)34-32(37)41,16-22-10-13-27(42-2)28(15-22)43-3)20-35-17-23-14-24(19-35)26-6-5-7-29(38)36(26)18-23/h5-13,15,23-24H,4,14,16-20H2,1-3H3,(H,34,39,41)/t23-,24+,33?/m1/s1
C33H36N4O6584.662181200
4260666

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O6/c1-4-33(2,32(41)34-24-11-13-25(14-12-24)35-17-19-43-20-18-35)37(21-23-9-15-26(42-3)16-10-23)29(38)22-36-28-8-6-5-7-27(28)30(39)31(36)40/h5-16H,4,17-22H2,1-3H3,(H,34,41)
C33H36N4O6584.6621399999988500
4593714

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,28,35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
C33H36N4O6584.662171547300
5006379

Double-bond stereo
InChI=1/C33H36N4O6/c1-7-20-18(5)32(42)36-26(20)13-24-16(3)22(9-11-30(38)39)28(34-24)15-29-23(10-12-31(40)41)17(4)25(35-29)14-27-21(8-2)19(6)33(43)37-27/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b26-13-,27-14-
C33H36N4O6584.66217700
12345

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