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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 28 results

Search term: C33H40N2O (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
114671
InChI=1/C33H40N2O/c36-33(20-12-4-2-1-3-7-14-29-15-13-23-34-27-29)35-24-21-28(22-25-35)26-32(30-16-8-5-9-17-30)31-18-10-6-11-19-31/h5-6,8-11,13,15-19,23,26-28H,1-4,7,12,14,20-22,24-25H2
C33H40N2O480.6835111000
20197532
InChI=1/C33H40N2O/c1-19-11-13-23(15-21(19)3)28-29(24-14-12-20(2)22(4)16-24)35-31(34-28)25-17-26(32(5,6)7)30(36)27(18-25)33(8,9)10/h11-18,36H,1-10H3,(H,34,35)
C33H40N2O480.683511700
446197
InChI=1/C33H40N2O/c1-25-8-7-9-26(2)31(25)32(36)34-22-18-33(3,19-23-34)35-20-16-28(17-21-35)24-27-12-14-30(15-13-27)29-10-5-4-6-11-29/h4-15,28H,16-24H2,1-3H3
C33H40N2O480.68357600
29236799

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C33H40N2O/c1-23(2)20-34-32(36)19-29(26-15-17-27(18-16-26)33(4,5)6)30-22-35(31-10-8-7-9-28(30)31)21-25-13-11-24(3)12-14-25/h7-18,22-23,29H,19-21H2,1-6H3,(H,34,36)
C33H40N2O480.68355400
23230539

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H40N2O/c1-4-11-26(12-5-1)13-10-14-27-19-21-34(22-20-27)24-30-25-35-31(33(30)29-17-8-3-9-18-29)23-32(36-35)28-15-6-2-7-16-28/h1-9,11-12,15-18,27,30-33H,10,13-14,19-25H2/t30-,31-,32-,33+/m0/s1
C33H40N2O480.68353300
23230825

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H40N2O/c1-4-11-26(12-5-1)13-10-14-27-19-21-34(22-20-27)24-31-30(28-15-6-2-7-16-28)25-35-32(31)23-33(36-35)29-17-8-3-9-18-29/h1-9,11-12,15-18,27,30-33H,10,13-14,19-25H2/t30-,31-,32+,33+/m1/s1
C33H40N2O480.68353300
431385

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C33H40N2O/c1-4-11-26(12-5-1)13-10-14-27-19-21-34(22-20-27)24-31-30(28-15-6-2-7-16-28)25-35-32(31)23-33(36-35)29-17-8-3-9-18-29/h1-9,11-12,15-18,27,30-33H,10,13-14,19-25H2/t30-,31?,32+,33+/m1/s1
C33H40N2O480.68352200
431389

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C33H40N2O/c1-4-11-26(12-5-1)13-10-14-27-19-21-34(22-20-27)24-30-25-35-31(33(30)29-17-8-3-9-18-29)23-32(36-35)28-15-6-2-7-16-28/h1-9,11-12,15-18,27,30-33H,10,13-14,19-25H2/t30?,31-,32-,33+/m0/s1
C33H40N2O480.68352200
58968214
InChI=1/C33H40N2O/c1-3-4-5-6-7-8-19-35-32-17-14-28(27-11-9-10-25(2)21-27)22-30(32)31-24-34(20-18-33(31)35)23-26-12-15-29(36)16-13-26/h9-17,21-22,36H,3-8,18-20,23-24H2,1-2H3
C33H40N2O480.68352200
4778582
InChI=1/C33H40N2O/c1-19-11-13-23(15-21(19)3)28-29(24-14-12-20(2)22(4)16-24)35-31(34-28)25-17-26(32(5,6)7)30(36)27(18-25)33(8,9)10/h11-18,34-35H,1-10H3
C33H40N2O480.68352100
8110511
InChI=1/C33H40N2O/c1-4-11-26(12-5-1)31(27-13-6-2-7-14-27)17-10-21-34-22-20-32-28(23-34)18-19-29-24-35(25-36-33(29)32)30-15-8-3-9-16-30/h1-2,4-7,11-14,18-19,30-31H,3,8-10,15-17,20-25H2
C33H40N2O480.68352100
8381583
InChI=1/C33H40N2O/c1-25-11-10-12-26(2)30(25)32(36)34-23-19-33(3,20-24-34)35-21-17-29(18-22-35)31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-16,29,31H,17-24H2,1-3H3
C33H40N2O480.68352100
8776161

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O/c1-22-9-7-8-12-31(22)35-32-21-25(34-24-10-5-4-6-11-24)20-30-29-15-13-23-19-26(36-3)14-16-27(23)28(29)17-18-33(30,32)2/h4-12,14,16,19,25,28-30,32,34-35H,13,15,17-18,20-21H2,1-3H3/t25-,28+,29+,30-,32-,33-/m0/s1
C33H40N2O480.68352100
8847741

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O/c1-22-8-7-11-25(18-22)35-32-21-26(34-24-9-5-4-6-10-24)20-31-30-14-12-23-19-27(36-3)13-15-28(23)29(30)16-17-33(31,32)2/h4-11,13,15,18-19,26,29-32,34-35H,12,14,16-17,20-21H2,1-3H3/t26-,29+,30+,31-,32-,33-/m0/s1
C33H40N2O480.68352100
8918686

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C33H40N2O/c1-22-9-12-25(13-10-22)35-32-21-26(34-24-7-5-4-6-8-24)20-31-30-15-11-23-19-27(36-3)14-16-28(23)29(30)17-18-33(31,32)2/h4-10,12-14,16,19,26,29-32,34-35H,11,15,17-18,20-21H2,1-3H3/t26-,29+,30+,31-,32-,33-/m0/s1
C33H40N2O480.68352100
9640616
InChI=1/C33H40N2O/c1-26(2)28-15-13-27(14-16-28)25-35-24-20-33(32(35)36)18-22-34(23-19-33)21-17-31(29-9-5-3-6-10-29)30-11-7-4-8-12-30/h3-16,26,31H,17-25H2,1-2H3
C33H40N2O480.68352100
9926697

InChI=1/C33H40N2O/c1-32(2,3)29-21-23(22-30(31(29)36)33(4,5)6)11-20-28(24-12-16-26(17-13-24)34(7)8)25-14-18-27(19-15-25)35(9)10/h12-19,21-22H,1-10H3
C33H40N2O480.68352200
57451159

Double-bond stereo
InChI=1/C33H40N2O/c1-5-34(6-2)31-25-21-29(22-26-31)17-13-9-11-15-19-33(36)20-16-12-10-14-18-30-23-27-32(28-24-30)35(7-3)8-4/h9-28H,5-8H2,1-4H3/b11-9+,12-10+,17-13+,18-14+,19-15+,20-16+
C33H40N2O480.68351100
12

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