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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 27 results

Search term: C33H55NO7 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17467882

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C23H32O7.C10H23N/c1-20-6-3-16-17(23(20,29)9-5-15(20)13-10-18(25)30-12-13)4-7-21(28)11-14(24)2-8-22(16,21)19(26)27;1-2-3-4-5-6-7-8-9-10-11/h10,14-17,24,28-29H,2-9,11-12H2,1H3,(H,26,27);2-11H2,1H3/t14-,15+,16-,17+,20+,21-,22+,23-;/m0./s1
C33H55NO7577.79238500
112906

0 of 18 defined stereocentres - 0/18 defined
InChI=1/C33H55NO7/c1-16-4-9-26-17(2)19-6-7-20-21(23(19)14-34(26)13-16)10-25-22(20)11-27(36)24-8-5-18(12-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-32,35-39H,4-15H2,1-3H3
C33H55NO7577.79235500
10183546

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1
C33H55NO7577.79234400
17466415

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C33H55NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-32,35-39H,4-15H2,1-3H3/t16-,17+,18+,19+,20+,21+,22-,23+,24-,25+,26-,27-,28+,29+,30-,31+,32+,33+/m0/s1
C33H55NO7577.79234200
21344899

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C23H32O7.C10H23N/c1-20-6-3-16-17(23(20,29)9-5-15(20)13-10-18(25)30-12-13)4-7-21(28)11-14(24)2-8-22(16,21)19(26)27;1-2-3-4-5-6-7-8-9-10-11/h10,14-17,24,28-29H,2-9,11-12H2,1H3,(H,26,27);2-11H2,1H3/t14?,15-,16-,17?,20+,21?,22+,23?;/m0./s1
C33H55NO7577.79233100
34986074

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C33H55NO7/c1-16-5-8-27-33(4,39)23-7-6-19-20(22(23)15-34(27)14-16)12-24-21(19)13-26(35)25-11-18(9-10-32(24,25)3)41-31-30(38)29(37)28(36)17(2)40-31/h16-31,35-39H,5-15H2,1-4H3/t16-,17+,18-,19+,20+,21-,22-,23-,24-,25+,26-,27-,28+,29-,30+,31-,32+,33-/m0/s1
C33H55NO7577.79233400
58837333

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H55NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h17-30,34-38H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33-/m0/s1
C33H55NO7577.79232200
24710776

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25-,26-,27?,28-,29+,30-,31-,32+,33+/m1/s1
C33H55NO7577.79232200
114991

11 of 16 defined stereocentres - 11/16 defined
InChI=1/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17?,18-,20?,21-,22+,23+,24?,25?,26-,27+,28-,29+,30-,31?,32+,33+/m1/s1
C33H55NO7577.79232200
2995976

0 of 18 defined stereocentres - 0/18 defined
InChI=1/C33H55NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-32,35-39H,4-15H2,1-3H3
C33H55NO7577.7922999999972100
8229480

14 of 18 defined stereocentres - 14/18 defined
InChI=1/C33H55NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-32,35-39H,4-15H2,1-3H3/t16-,17+,18-,19-,20?,21?,22?,23+,24?,25+,26-,27+,28+,29+,30-,31+,32+,33+/m0/s1
C33H55NO7577.79232100
8320315

Double-bond stereo

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C33H55NO7/c1-10-11-13-22(5)31(41-33(34)39)24(7)23(6)19(2)14-12-15-20(3)29(36)21(4)16-17-27(35)18-28-25(8)30(37)26(9)32(38)40-28/h10-13,15-17,19-31,35-37H,1,14,18H2,2-9H3,(H2,34,39)/b13-11-,15-12-,17-16+/t19-,20-,21-,22-,23-,24-,25-,26+,27-,28?,29+,30-,31-/m0/s1
C33H55NO7577.79232100
8433068

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17-,18-,20+,21-,22+,23+,24-,25-,26-,27+,28-,29+,30-,31-,32+,33+/m1/s1
C33H55NO7577.79232100
8568836

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17-,18?,20?,21+,22-,23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1
C33H55NO7577.79232100
8897247

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C33H55NO7/c1-7-37-22-39-33-18-17-32(21-35,34-28(36)41-29(2,3)4)31(33,6)16-14-25-26(33)12-11-23-20-24(13-15-30(23,25)5)40-27-10-8-9-19-38-27/h21,23-27H,7-20,22H2,1-6H3,(H,34,36)/t23-,24+,25+,26-,27?,30+,31-,32+,33+/m1/s1
C33H55NO7577.79232100
9203422

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C33H55NO7/c1-32-11-4-3-5-25(32)6-7-27-28-8-9-30(33(28,2)12-10-29(27)32)31(35)34-23-26-24-40-20-19-38-16-15-36-13-14-37-17-18-39-21-22-41-26/h9,25-29H,3-8,10-24H2,1-2H3,(H,34,35)/t25-,26?,27+,28+,29+,32+,33+/m1/s1
C33H55NO7577.79232100
9289665

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C33H55NO7/c1-8-9-10-11-12-13-14-15-16-22(3)28(35)23(4)17-21(2)18-24(5)29(36)25(6)19-26(7)32(39)34-27-20-41-33(40)31(38)30(27)37/h17-19,22-23,25,27-28,30-31,35,37-38H,8-16,20H2,1-7H3,(H,34,39)/b21-17+,24-18+,26-19+/t22-,23-,25+,27+,28+,30+,31-/m0/s1
C33H55NO7577.79232100
9687377

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H55NO7/c1-10-11-12-23(5)32(41-33(34)38)26(8)31(37)25(7)18-20(2)17-24(6)30(36)22(4)13-15-27(39-9)19-28-21(3)14-16-29(35)40-28/h10-13,15,17,21-28,30-32,36-37H,1,14,16,18-19H2,2-9H3,(H2,34,38)/b12-11-,15-13-,20-17-/t21-,22+,23+,24+,25+,26+,27-,28+,30+,31-,32+/m1/s1
C33H55NO7577.79232100
10142418

5 of 18 defined stereocentres - 5/18 defined
InChI=1/C33H55NO7/c1-16-4-7-26-17(2)19-5-6-20-21(23(19)14-34(26)13-16)11-24-22(20)12-27(36)25-10-18(8-9-33(24,25)3)40-32-31(39)30(38)29(37)28(15-35)41-32/h16-32,35-39H,4-15H2,1-3H3/t16?,17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28-,29-,30+,31-,32-,33?/m1/s1
C33H55NO7577.79232200
10145678

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C33H55NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-31,34-39H,5,7-16H2,1-4H3/t17-,18+,20?,21+,22-,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-/m0/s1
C33H55NO7577.79232200
12

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