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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 162 results

Search term: C33H43N3O6 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2272720

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29-/m1/s1
C33H43N3O6577.711273400
21346472

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H43N3O6/c1-22(2)19-26(29(38)39)34-30(40)33(25-13-7-6-8-14-25)15-17-35(18-16-33)28(37)27-20-23-11-9-10-12-24(23)21-36(27)31(41)42-32(3,4)5/h6-14,22,26-27H,15-21H2,1-5H3,(H,34,40)(H,38,39)/t26-,27-/m0/s1
C33H43N3O6577.71111800
17470596

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C33H43N3O6/c1-6-22(2)27(29(38)39)34-30(40)33(25-14-8-7-9-15-25)16-18-35(19-17-33)28(37)26-20-23-12-10-11-13-24(23)21-36(26)31(41)42-32(3,4)5/h7-15,22,26-27H,6,16-21H2,1-5H3,(H,34,40)(H,38,39)/t22?,26-,27-/m0/s1
C33H43N3O6577.71110700
3518372
InChI=1/C33H43N3O6/c1-25-8-12-29(42-25)23-35(19-16-26-9-15-30(40-3)31(22-26)41-4)32(37)24-36(21-20-34-17-6-5-7-18-34)33(38)27-10-13-28(39-2)14-11-27/h8-15,22H,5-7,16-21,23-24H2,1-4H3
C33H43N3O6577.7110199999989700
8113747

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)
C33H43N3O6577.7119800
30717877

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C33H43N3O6/c1-21(37)36-26-14-12-23-19-29(40-2)32(41-3)33(42-4)31(23)24-13-15-27(28(38)20-25(24)26)34-17-8-11-30(39)35-18-16-22-9-6-5-7-10-22/h9,13,15,19-20,26H,5-8,10-12,14,16-18H2,1-4H3,(H,34,38)(H,35,39)(H,36,37)/t26-/m0/s1
C33H43N3O6577.7119700
21344937

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H43N3O6/c1-22(2)19-26(29(38)39)34-30(40)33(25-13-7-6-8-14-25)15-17-35(18-16-33)28(37)27-20-23-11-9-10-12-24(23)21-36(27)31(41)42-32(3,4)5/h6-14,22,26-27H,15-21H2,1-5H3,(H,34,40)(H,38,39)/t26-,27-/m1/s1
C33H43N3O6577.7118700
22581143
InChI=1/C33H43N3O6/c1-26-9-12-29(42-26)24-35(16-15-28-10-13-30(39-2)31(23-28)40-3)33(38)25-36(18-17-34-19-21-41-22-20-34)32(37)14-11-27-7-5-4-6-8-27/h4-10,12-13,23H,11,14-22,24-25H2,1-3H3
C33H43N3O6577.7117600
22570900

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C33H43N3O6/c37-31(36(21-28-3-1-10-40-28)20-24-4-5-29-30(16-24)42-23-41-29)22-35(7-2-6-34-8-11-39-12-9-34)32(38)33-17-25-13-26(18-33)15-27(14-25)19-33/h1,3-5,10,16,25-27H,2,6-9,11-15,17-23H2
C33H43N3O6577.7116500
10122074

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H43N3O6/c1-2-3-19-36-30(38)28(29(37)24-7-5-4-6-8-24)34-32(41)33(36)17-20-35(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)31(39)40/h9-16,24,28-29,37H,2-8,17-22H2,1H3,(H,34,41)(H,39,40)/t28-,29+/m0/s1
C33H43N3O6577.7115400
422910

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H43N3O6/c1-33(2,3)42-32(41)36-27(20-24-15-9-5-10-16-24)29(38)22-34-21-28(37)26(19-23-13-7-4-8-14-23)35-31(40)30(39)25-17-11-6-12-18-25/h4-18,26-30,34,37-39H,19-22H2,1-3H3,(H,35,40)(H,36,41)/t26-,27-,28+,29+,30+/m0/s1
C33H43N3O6577.7115500
422911

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H43N3O6/c1-33(2,3)42-32(41)36-27(20-24-15-9-5-10-16-24)29(38)22-34-21-28(37)26(19-23-13-7-4-8-14-23)35-31(40)30(39)25-17-11-6-12-18-25/h4-18,26-30,34,37-39H,19-22H2,1-3H3,(H,35,40)(H,36,41)/t26-,27-,28+,29+,30-/m0/s1
C33H43N3O6577.7115500
3733785

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H43N3O6/c1-4-29(27-9-6-5-7-10-27)33(38)36(17-16-34-18-21-41-22-19-34)25-32(37)35(24-28-11-8-20-42-28)15-14-26-12-13-30(39-2)31(23-26)40-3/h5-13,20,23,29H,4,14-19,21-22,24-25H2,1-3H3
C33H43N3O6577.7110199999985300
3735527
InChI=1/C33H43N3O6/c1-4-26-8-11-28(12-9-26)33(38)36(16-6-15-34-18-21-41-22-19-34)25-32(37)35(24-29-7-5-20-42-29)17-14-27-10-13-30(39-2)31(23-27)40-3/h5,7-13,20,23H,4,6,14-19,21-22,24-25H2,1-3H3
C33H43N3O6577.7110199999985300
65061058

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C33H43N3O6/c1-40-26-8-4-5-21(15-26)19-36-20-24-17-28(36)33(39)34-18-31-29(37)12-10-25(42-31)13-14-41-30-16-23(22-6-2-3-7-22)9-11-27(30)32(38)35-24/h4-5,8-9,11,15-16,22,24-25,28-29,31,37H,2-3,6-7,10,12-14,17-20H2,1H3,(H,34,39)(H,35,38)/t24-,25-,28-,29-,31+/m0/s1
C33H43N3O6577.7115300
37999415

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H43N3O6/c1-21(37)35-18-15-22(16-19-35)25-9-8-10-27-26(25)17-20-36(31(40)42-33(5,6)7)28(27)29(38)34-24-13-11-23(12-14-24)30(39)41-32(2,3)4/h8-14,22,28H,15-20H2,1-7H3,(H,34,38)
C33H43N3O6577.7114200
8252424

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H43N3O6/c1-5-42-31(38)18-17-27(23(2)3)34-32(39)28(20-24-12-7-6-8-13-24)35-33(40)29-16-9-10-19-36(29)22-30(37)25-14-11-15-26(21-25)41-4/h6-8,11-15,17-18,21,23,27-29H,5,9-10,16,19-20,22H2,1-4H3,(H,34,39)(H,35,40)/b18-17+/t27-,28+,29+/m1/s1
C33H43N3O6577.7114300
8636223

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H43N3O6/c1-23(2)28(16-11-19-42-24(3)37)34-32(39)29(20-25-12-6-5-7-13-25)35-33(40)30-17-8-9-18-36(30)22-31(38)26-14-10-15-27(21-26)41-4/h5-7,10-16,21,23,28-30H,8-9,17-20,22H2,1-4H3,(H,34,39)(H,35,40)/b16-11+/t28-,29+,30+/m1/s1
C33H43N3O6577.7114300
422687

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H43N3O6/c1-33(2,3)42-32(40)36-28(20-25-15-9-5-10-16-25)30(38)22-34-21-29(37)27(19-24-13-7-4-8-14-24)35-31(39)41-23-26-17-11-6-12-18-26/h4-18,27-30,34,37-38H,19-23H2,1-3H3,(H,35,39)(H,36,40)/t27-,28-,29+,30+/m0/s1
C33H43N3O6577.7114300
24750133

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C33H43N3O6/c1-21(2)42-31(39)20-36-19-28(22(3)32(23(36)4)24(5)37)33(40)35-29(16-25-11-8-7-9-12-25)30(38)18-34-17-26-13-10-14-27(15-26)41-6/h7-15,19,21-22,29-30,34,38H,16-18,20H2,1-6H3,(H,35,40)/t22?,29-,30+/m0/s1
C33H43N3O6577.7114300
12345

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