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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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Isotopically Labeled
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Found 25 results

Search term: C33H49NO8 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16739509

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,22+,23+,25+,26-,27+,29-,30+,31+,32-,33-/m0/s1
C33H49NO8587.7441262400
2996898

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C33H49NO8/c1-15-11-23-26(34-13-15)17(3)33(42-23)10-8-20-21-6-5-18-12-19(40-31-22(14-35)27(36)29(38)30(39)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3
C33H49NO8587.74405999999811600
17467097

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20-,21?,22+,23+,25?,26-,27+,29-,30+,31-,32-,33-/m0/s1
C33H49NO8587.74418400
2841238

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3
C33H49NO8587.7440599999987500
17467207

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C33H49NO8/c1-15-11-23-26(34-13-15)17(3)33(42-23)10-8-20-21-6-5-18-12-19(40-31-22(14-35)27(36)29(38)30(39)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20?,21?,22+,23+,25?,26-,27-,29-,30-,31-,32-,33-/m0/s1
C33H49NO8587.74414100
17461890

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20-,21?,22?,23+,25+,26-,27+,29-,30+,31?,32-,33-/m0/s1
C33H49NO8587.74414100
2327419

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C33H49NO8/c1-31-14-11-23(42-30(39)19-34-27(35)7-5-3-4-6-8-28(36)37)18-22(31)9-10-26-25(31)12-15-32(2)24(13-16-33(26,32)40)21-17-29(38)41-20-21/h17,22-26,40H,3-16,18-20H2,1-2H3,(H,34,35)(H,36,37)/t22-,23+,24-,25+,26-,31+,32-,33+/m1/s1
C33H49NO8587.7440599999984400
34279

6 of 15 defined stereocentres - 6/15 defined
InChI=1/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15?,17?,19-,20?,21?,22+,23?,25?,26-,27+,29?,30?,31+,32?,33-/m0/s1
C33H49NO8587.74412200
4885097

12 of 15 defined stereocentres - 12/15 defined
InChI=1/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20?,21-,22+,23+,25?,26?,27+,29+,30+,31+,32-,33-/m0/s1
C33H49NO8587.74412200
8092104

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C33H49NO8/c1-7-11-34-17-23(6)42-28(18-34)41-20-32-16-25-22(5)9-10-26(25)31(19-35)15-24(32)14-27(21(3)4)33(31,32)29(36)39-12-13-40-30(37)38-8-2/h7,14,19,21-26,28H,1,8-13,15-18,20H2,2-6H3/t22-,23-,24+,25-,26-,28-,31+,32+,33+/m1/s1
C33H49NO8587.74412100
8433275

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19?,20-,21?,22+,23+,25+,26-,27+,29-,30+,31+,32-,33-/m0/s1
C33H49NO8587.74412100
8873935

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H49NO8/c1-21-12-11-13-26-32(21,5)16-15-22(33(26,6)19-23-28(37)24(35)18-25(40-7)29(23)38)20-41-27(36)14-9-8-10-17-34-30(39)42-31(2,3)4/h18,22,26,37H,1,8-17,19-20H2,2-7H3,(H,34,39)/t22-,26+,32+,33+/m0/s1
C33H49NO8587.74412100
8968796

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C33H49NO8/c1-21-12-11-13-26-32(21,5)16-15-22(33(26,6)19-23-28(37)24(35)18-25(40-7)29(23)38)20-41-27(36)14-9-8-10-17-34-30(39)42-31(2,3)4/h18,22,26,37H,1,8-17,19-20H2,2-7H3,(H,34,39)/t22-,26-,32-,33-/m1/s1
C33H49NO8587.74412100
9321441

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C33H49NO8/c1-33-10-9-28-27-6-4-25(36-2)21-24(27)3-5-29(28)30(33)7-8-31(33)32(35)34-22-26-23-41-18-17-39-14-13-37-11-12-38-15-16-40-19-20-42-26/h4,6,8,21,26,28-30H,3,5,7,9-20,22-23H2,1-2H3,(H,34,35)/t26?,28-,29-,30+,33+/m1/s1
C33H49NO8587.74412100
95641769

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C33H49NO8/c1-31-14-11-23(42-30(39)19-34-27(35)7-5-3-4-6-8-28(36)37)18-22(31)9-10-26-25(31)12-15-32(2)24(13-16-33(26,32)40)21-17-29(38)41-20-21/h17,22-26,40H,3-16,18-20H2,1-2H3,(H,34,35)(H,36,37)
C33H49NO8587.74411100
113598227

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20-,21?,22+,23+,25?,26-,27+,29-,30+,31-,32-,33-/m1/s1
C33H49NO8587.74411100
113598415

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,22+,23+,25+,26-,27+,29-,30+,31+,32-,33-/m1/s1
C33H49NO8587.74411100
114814169

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,22+,23+,25-,26-,27+,29-,30+,31+,32+,33-/m0/s1
C33H49NO8587.74411100
12

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