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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 55 results

Search term: C34H44N2O8 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2112222

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C34H44N2O8/c1-9-11-23(37)25-21(17-33(3,4)27(29(25)39)31(41)43-7)35-19-13-15-20(16-14-19)36-22-18-34(5,6)28(32(42)44-8)30(40)26(22)24(38)12-10-2/h13-16,27-28,35-36H,9-12,17-18H2,1-8H3
C34H44N2O8608.721759999998131000
10393329

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C34H44N2O8/c1-39-29-11-5-21(15-31(29)41-3)33(37)43-27-17-23-7-8-24(18-27)35(23)13-14-36-25-9-10-26(36)20-28(19-25)44-34(38)22-6-12-30(40-2)32(16-22)42-4/h5-6,11-12,15-16,23-28H,7-10,13-14,17-20H2,1-4H3/t23-,24+,25-,26+,27+,28+
C34H44N2O8608.72187300
57263324

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C34H44N2O8/c1-39-29-11-5-21(15-31(29)41-3)33(37)43-27-17-23-7-8-24(18-27)35(23)13-14-36-25-9-10-26(36)20-28(19-25)44-34(38)22-6-12-30(40-2)32(16-22)42-4/h5-6,11-12,15-16,23-28H,7-10,13-14,17-20H2,1-4H3/t23-,24-,25-,26+,28?/m0/s1
C34H44N2O8608.72187400
71292624

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C34H44N2O8/c1-5-20(2)31(33(35)41)36-28(39)19-26(22-14-16-25(43-4)17-15-22)30-27(38)18-23-11-7-6-8-12-24(37)13-9-10-21(3)44-34(42)29(23)32(30)40/h7,11,14-18,20-21,26,31,38,40H,5-6,8-10,12-13,19H2,1-4H3,(H2,35,41)(H,36,39)/b11-7+/t20-,21-,26?,31-/m0/s1
C34H44N2O8608.72186600
79742984

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C34H44N2O8/c1-23-7-6-10-26(37)9-5-3-4-8-25-21-29(38)32(33(40)31(25)34(41)44-23)28(24-11-13-27(42-2)14-12-24)22-30(39)35-15-16-36-17-19-43-20-18-36/h4,8,11-14,21,23,28,38,40H,3,5-7,9-10,15-20,22H2,1-2H3,(H,35,39)/b8-4+/t23-,28?/m0/s1
C34H44N2O8608.72185600
3829579

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C34H44N2O8/c1-39-29-11-5-21(15-31(29)41-3)33(37)43-27-17-23-7-8-24(18-27)35(23)13-14-36-25-9-10-26(36)20-28(19-25)44-34(38)22-6-12-30(40-2)32(16-22)42-4/h5-6,11-12,15-16,23-28H,7-10,13-14,17-20H2,1-4H3
C34H44N2O8608.72185200
3360293
InChI=1/C34H44N2O8/c1-7-39-27-17-25(18-28(40-8-2)31(27)43-11-5)33(37)35-21-23-13-15-24(16-14-23)22-36-34(38)26-19-29(41-9-3)32(44-12-6)30(20-26)42-10-4/h13-20H,7-12,21-22H2,1-6H3,(H,35,37)(H,36,38)
C34H44N2O8608.7217599999984300
3813039
InChI=1/C34H44N2O8/c1-7-39-27-17-25(18-28(40-8-2)31(27)43-11-5)33(37)35-21-23-14-13-15-24(16-23)22-36-34(38)26-19-29(41-9-3)32(44-12-6)30(20-26)42-10-4/h13-20H,7-12,21-22H2,1-6H3,(H,35,37)(H,36,38)
C34H44N2O8608.72184300
29408231

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H44N2O8/c1-33(2)14-12-29-34(21-33,32(39)44-7)19-24(18-30(37)35-20-23-9-11-26(41-4)28(17-23)43-6)31(38)36(29)15-13-22-8-10-25(40-3)27(16-22)42-5/h8-12,16-17,24H,13-15,18-21H2,1-7H3,(H,35,37)/t24-,34-/m1/s1
C34H44N2O8608.72183200
122678618
InChI=1/C34H44N2O8/c1-34(2,3)44-33(39)16-19-41-21-23-43-25-24-42-22-20-40-18-15-31(37)35-17-14-32(38)36-26-29-10-5-4-8-27(29)12-13-28-9-6-7-11-30(28)36/h4-11H,14-26H2,1-3H3,(H,35,37)
C34H44N2O8608.72183300
5152492

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C34H44N2O8/c1-4-5-6-7-8-12-29(39)36(15-13-22-10-9-11-24(17-22)42-2)27-20-26(34(41)35-14-16-37)30-25-18-23(21-38)19-28(43-3)32(25)44-33(30)31(27)40/h9-11,17-21,27,30-31,33,37,40H,4-8,12-16H2,1-3H3,(H,35,41)/t27-,30+,31+,33+/m1/s1
C34H44N2O8608.72182100
5152522

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C34H44N2O8/c1-4-5-6-7-8-13-29(39)36(16-14-23-11-9-10-12-27(23)42-2)26-20-25(34(41)35-15-17-37)30-24-18-22(21-38)19-28(43-3)32(24)44-33(30)31(26)40/h9-12,18-21,26,30-31,33,37,40H,4-8,13-17H2,1-3H3,(H,35,41)/t26-,30+,31+,33+/m1/s1
C34H44N2O8608.72182100
5154261

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C34H44N2O8/c1-42-24-9-5-8-22(16-24)12-14-36(29(39)11-10-21-6-3-4-7-21)27-19-26(34(41)35-13-15-37)30-25-17-23(20-38)18-28(43-2)32(25)44-33(30)31(27)40/h5,8-9,16-19,21,27,30-31,33,37-38,40H,3-4,6-7,10-15,20H2,1-2H3,(H,35,41)/t27-,30+,31+,33+/m1/s1
C34H44N2O8608.72182100
5154289

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C34H44N2O8/c1-42-27-10-6-5-9-23(27)13-15-36(29(39)12-11-21-7-3-4-8-21)26-19-25(34(41)35-14-16-37)30-24-17-22(20-38)18-28(43-2)32(24)44-33(30)31(26)40/h5-6,9-10,17-19,21,26,30-31,33,37-38,40H,3-4,7-8,11-16,20H2,1-2H3,(H,35,41)/t26-,30+,31+,33+/m1/s1
C34H44N2O8608.72182100
8569371

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C34H44N2O8/c1-23(2)21-30(43-32(38)19-20-35)34(41)44-29(24(3)13-14-25-9-6-5-7-10-25)11-8-12-31(37)36-28(33(39)40)22-26-15-17-27(42-4)18-16-26/h5-10,12-18,23-24,28-30H,11,19-22,35H2,1-4H3,(H,36,37)(H,39,40)/b12-8+,14-13+/t24-,28-,29+,30+/m1/s1
C34H44N2O8608.72182100
8874290

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C34H44N2O8/c1-7-9-20-35(23(3)37)25-18-16-24(17-19-25)27(38)22-28(39)31-26(36(33(41)42-8-2)32(40)34(4,5)6)13-12-14-29(31)44-30-15-10-11-21-43-30/h12-14,16-19,30H,7-11,15,20-22H2,1-6H3
C34H44N2O8608.72182100
8969115

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C34H44N2O8/c1-5-21-43-32(40)29(23-25-12-7-6-8-13-25)36(31(39)28-14-11-20-35(28)33(41)44-34(2,3)4)24-26-16-18-27(19-17-26)42-22-10-9-15-30(37)38/h5-8,12-13,16-19,28-29H,1,9-11,14-15,20-24H2,2-4H3,(H,37,38)/t28-,29-/m0/s1
C34H44N2O8608.72182100
9016697

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C34H44N2O8/c1-33(2,3)43-30(39)27(17-11-12-21-18-19-28(29(37)38)36(21)32(41)44-34(4,5)6)35-31(40)42-20-26-24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h7-10,13-16,21,26-28H,11-12,17-20H2,1-6H3,(H,35,40)(H,37,38)/t21?,27-,28-/m0/s1
C34H44N2O8608.72182100
9344521

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C34H44N2O8/c1-21(2)16-28(33(40)36-29-19-26(38)13-12-25(29)18-30(36)34(41)42-4)35-32(39)31(44-22(3)37)17-23-10-14-27(15-11-23)43-20-24-8-6-5-7-9-24/h5-11,14-15,21,25-26,28-31,38H,12-13,16-20H2,1-4H3,(H,35,39)/t25-,26+,28+,29-,30-,31+/m0/s1
C34H44N2O8608.72182100
9810537

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C34H44N2O8/c1-20(37)43-24-16-33(2)23(12-13-25(33)38)27-29(24)34(3)26(19-42-6)44-32(41)22(28(34)31(40)30(27)39)18-36(15-14-35(4)5)17-21-10-8-7-9-11-21/h7-11,18,23-26,38,40H,12-17,19H2,1-6H3/b22-18-
C34H44N2O8608.72182100
123

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