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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 141 results

Search term: C33H33FN2O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4983494

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1
C33H33FN2O4540.6245766700
11311568

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)
C33H33FN2O4540.6245191700
3596689

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H33FN2O4/c1-3-4-5-10-30(38)36-28-9-7-6-8-26(28)35-27-19-24(21-15-17-25(34)18-16-21)20-29(37)31(27)32(36)22-11-13-23(14-12-22)33(39)40-2/h6-9,11-18,24,32,35H,3-5,10,19-20H2,1-2H3
C33H33FN2O4540.624523199999181300
3181573

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C33H33FN2O4/c1-33(2,3)23-12-8-20(9-13-23)22-18-26-31(28(37)19-22)32(21-10-14-24(34)15-11-21)36(29(38)16-17-30(39)40)27-7-5-4-6-25(27)35-26/h4-15,22,32,35H,16-19H2,1-3H3,(H,39,40)
C33H33FN2O4540.6245171200
67865468

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C33H33FN2O4/c1-22(2)31-30(33(40)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27(37)14-9-15-28(38)39/h3-13,15-19,22,27,37H,14,20-21H2,1-2H3,(H,35,40)(H,38,39)/b15-9+/t27-/m0/s1
C33H33FN2O4540.6245121600
3210482
InChI=1/C33H33FN2O4/c1-5-18-35(32(39)24-12-14-26(15-13-24)33(2,3)4)21-30(37)36(19-23-10-16-27(34)17-11-23)20-25-22-40-29-9-7-6-8-28(29)31(25)38/h5-17,22H,1,18-21H2,2-4H3
C33H33FN2O4540.62459700
22709899

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H33FN2O4/c1-22(2)18-31(37)36-17-16-24-10-13-27(19-29(24)32(36)25-8-11-26(34)12-9-25)39-21-28-14-15-30(40-28)33(38)35-20-23-6-4-3-5-7-23/h3-15,19,22,32H,16-18,20-21H2,1-2H3,(H,35,38)
C33H33FN2O4540.62457600
22710000

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H33FN2O4/c1-33(2,3)32(38)36-17-16-23-12-13-26(19-28(23)30(36)24-10-7-11-25(34)18-24)39-21-27-14-15-29(40-27)31(37)35-20-22-8-5-4-6-9-22/h4-15,18-19,30H,16-17,20-21H2,1-3H3,(H,35,37)
C33H33FN2O4540.62457600
22710125

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H33FN2O4/c1-21-8-11-25(12-9-21)35-31(37)29-15-14-27(40-29)20-39-26-13-10-22-16-17-36(32(38)33(2,3)4)30(28(22)19-26)23-6-5-7-24(34)18-23/h5-15,18-19,30H,16-17,20H2,1-4H3,(H,35,37)
C33H33FN2O4540.62457600
22710221

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H33FN2O4/c1-21(2)33(38)36-15-14-24-10-11-27(18-29(24)31(36)25-8-5-9-26(34)17-25)39-20-28-12-13-30(40-28)32(37)35-19-23-7-4-6-22(3)16-23/h4-13,16-18,21,31H,14-15,19-20H2,1-3H3,(H,35,37)
C33H33FN2O4540.62457600
22710354

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H33FN2O4/c1-22(2)17-31(37)36-16-15-24-11-12-27(19-29(24)32(36)25-9-6-10-26(34)18-25)39-21-28-13-14-30(40-28)33(38)35-20-23-7-4-3-5-8-23/h3-14,18-19,22,32H,15-17,20-21H2,1-2H3,(H,35,38)
C33H33FN2O4540.62457600
22710415

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H33FN2O4/c1-21(2)33(38)36-16-15-24-9-12-27(18-29(24)31(36)25-7-10-26(34)11-8-25)39-20-28-13-14-30(40-28)32(37)35-19-23-6-4-5-22(3)17-23/h4-14,17-18,21,31H,15-16,19-20H2,1-3H3,(H,35,37)
C33H33FN2O4540.62457600
22710572

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H33FN2O4/c1-22(2)32(37)36-18-17-24-11-14-27(19-29(24)31(36)25-9-12-26(34)13-10-25)39-21-28-15-16-30(40-28)33(38)35(3)20-23-7-5-4-6-8-23/h4-16,19,22,31H,17-18,20-21H2,1-3H3
C33H33FN2O4540.62457600
22710833

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H33FN2O4/c1-33(2,3)32(38)36-17-16-23-12-13-26(19-28(23)30(36)24-9-5-4-6-10-24)39-21-27-14-15-29(40-27)31(37)35-20-22-8-7-11-25(34)18-22/h4-15,18-19,30H,16-17,20-21H2,1-3H3,(H,35,37)
C33H33FN2O4540.62457600
4484726

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H33FN2O4/c34-29(19-23-9-3-1-4-10-23)31-32(39)30(20-24-11-5-2-6-12-24)35(21-25-13-7-15-27(37)17-25)33(40)36(31)22-26-14-8-16-28(38)18-26/h1-18,29-32,37-39H,19-22H2/t29-,30+,31+,32-/m0/s1
C33H33FN2O4540.62456500
4945167

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H33FN2O4/c34-26-13-15-27(16-14-26)36-31(18-17-28(37)20-29(38)21-32(39)40)30-8-4-7-25(33(30)35-36)19-22-9-11-24(12-10-22)23-5-2-1-3-6-23/h1-3,5-6,9-18,25,28-29,37-38H,4,7-8,19-21H2,(H,39,40)/b18-17+/t25-,28+,29+/m0/s1
C33H33FN2O4540.62454400
68383027

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C33H33FN2O4/c1-22(2)30-18-24(29-10-3-4-11-31(29)34)20-39-33(30)23-7-5-8-27(17-23)38-21-32(37)36-25-12-14-26(15-13-25)40-28-9-6-16-35-19-28/h3-17,19,22,24,30,33H,18,20-21H2,1-2H3,(H,36,37)/t24-,30-,33-/m0/s1
C33H33FN2O4540.62454300
77498761

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C33H33FN2O4/c1-22(2)31-30(33(40)35-26-12-7-4-8-13-26)29(23-10-5-3-6-11-23)32(24-16-18-25(34)19-17-24)36(31)21-20-27(37)14-9-15-28(38)39/h3-13,15-19,22,27,37H,14,20-21H2,1-2H3,(H,35,40)(H,38,39)/b15-9-/t27-/m0/s1
C33H33FN2O4540.62454700
8134555

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C33H33FN2O4/c34-26-13-15-27(16-14-26)36-31(18-17-28(37)20-29(38)21-32(39)40)30-8-4-7-25(33(30)35-36)19-22-9-11-24(12-10-22)23-5-2-1-3-6-23/h1-3,5-6,9-18,25,28-29,37-38H,4,7-8,19-21H2,(H,39,40)/b18-17+/t25?,28-,29-/m1/s1
C33H33FN2O4540.62454300
9618949

Double-bond stereo
InChI=1/C33H33FN2O4/c1-19-18-33(2,3)35-24-11-10-22-29(28(19)24)27(40-26-13-12-25(37)31(39-4)30(22)26)16-20-8-9-21(34)17-23(20)32(38)36-14-6-5-7-15-36/h8-13,16-18,35,37H,5-7,14-15H2,1-4H3/b27-16-
C33H33FN2O4540.62454300
12345

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