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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 31 results

Search term: C29H47N5O7 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9596715

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)/t18-,19-,20-,21+,23-,24-/m0/s1
C29H47N5O7577.7128201900
392186

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1
C29H47N5O7577.7128172100
2393581

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C29H47N5O7/c1-18(2)16-22(24(30)35)32-26(37)23(19(3)4)34-25(36)21(33-28(39)41-29(5,6)7)14-11-15-31-27(38)40-17-20-12-9-8-10-13-20/h8-10,12-13,18-19,21-23H,11,14-17H2,1-7H3,(H2,30,35)(H,31,38)(H,32,37)(H,33,39)(H,34,36)
C29H47N5O7577.7127799999989400
8636224

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)/t18?,19-,20-,21-,23-,24-/m0/s1
C29H47N5O7577.71285400
9203421

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H47N5O7/c1-17(2)13-21(33-27(39)22(15-24(30)36)34-28(40)41-29(5,6)7)23(35)14-18(3)25(37)32-19(4)26(38)31-16-20-11-9-8-10-12-20/h8-12,17-19,21-23,35H,13-16H2,1-7H3,(H2,30,36)(H,31,38)(H,32,37)(H,33,39)(H,34,40)/t18-,19+,21+,22+,23+/m1/s1
C29H47N5O7577.71285400
65261013

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H47N5O7/c1-29(2,3)13-24(36)33-10-9-32-16-20(33)27(39)30-14-22-26(38)25(37)21(41-22)12-23(35)31-17-11-19(28(32)40)34(15-17)18-7-5-4-6-8-18/h17-22,25-26,37-38H,4-16H2,1-3H3,(H,30,39)(H,31,35)/t17-,19-,20-,21-,22+,25-,26+/m0/s1
C29H47N5O7577.71285300
84487722

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H47N5O7/c35-26(32-8-11-40-12-9-32)15-21-5-7-33-18-22(21)16-27(36)34-19-24(31-23-3-1-2-4-23)17-25(34)29(38)30-6-10-39-13-14-41-20-28(33)37/h21-25,31H,1-20H2,(H,30,38)/t21-,22-,24-,25-/m0/s1
C29H47N5O7577.71284200
84487813

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C29H47N5O7/c35-25(32-10-13-40-14-11-32)17-21-5-8-33-19-22(21)18-26(36)34-9-6-24(31-23-3-1-2-4-23)28(34)29(38)30-7-12-39-15-16-41-20-27(33)37/h21-24,28,31H,1-20H2,(H,30,38)/t21-,22-,24+,28-/m0/s1
C29H47N5O7577.71284200
17245786

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C29H47N5O7/c1-7-11-18(23(36)25(38)31-14-19(30)35)32-24(37)22-20-17(29(20,5)6)15-34(22)26(39)21(16-12-9-8-10-13-16)33-27(40)41-28(2,3)4/h16-18,20-22H,7-15H2,1-6H3,(H2,30,35)(H,31,38)(H,32,37)(H,33,40)/t17-,18?,20-,21-,22-/m0/s1
C29H47N5O7577.71284400
26330231

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19+,21-,22-,24-,25-/m0/s1
C29H47N5O7577.71284400
62720444

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H47N5O7/c1-19(2)16-22-28(38)34-27(20(3)35)29(39)32-14-6-5-12-30-13-7-15-31-26(37)18-41-23-10-8-21(17-24(23)40-4)9-11-25(36)33-22/h8,10,17,19-20,22,27,30,35H,5-7,9,11-16,18H2,1-4H3,(H,31,37)(H,32,39)(H,33,36)(H,34,38)/t20-,22-,27+/m1/s1
C29H47N5O7577.71284300
3822952

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)
C29H47N5O7577.7128420400
8095586

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)/t18-,19-,20-,21?,23-,24-/m0/s1
C29H47N5O7577.71284300
8501311

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C29H47N5O7/c1-7-17(5)23(33-25(36)20(30)14-19-12-10-9-11-13-19)28(39)32-22(16(3)4)27(38)31-21(15-35)26(37)34-24(29(40)41)18(6)8-2/h9-13,16-18,20-24,35H,7-8,14-15,30H2,1-6H3,(H,31,38)(H,32,39)(H,33,36)(H,34,37)(H,40,41)/t17-,18-,20-,21-,22-,23-,24-/m0/s1
C29H47N5O7577.71284300
2298618

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C29H47N5O7/c1-9-11-20(35)14-22(36)32-23(15(2)3)26(37)33-24(16(4)5)29(40)41-21-13-10-12-17(6)25(21)34(27(38)18(7)30)28(39)19(8)31/h10,12-13,15-16,18-20,23-24,35H,9,11,14,30-31H2,1-8H3,(H,32,36)(H,33,37)/t18-,19-,20?,23-,24-/m0/s1
C29H47N5O7577.7127799999984400
312296

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C29H47N5O7/c1-15(2)12-21(31-25(36)18(7)30)26(37)33-23(14-19-8-10-20(35)11-9-19)27(38)32-22(13-16(3)4)28(39)34-24(17(5)6)29(40)41/h8-11,15-18,21-24,35H,12-14,30H2,1-7H3,(H,31,36)(H,32,38)(H,33,37)(H,34,39)(H,40,41)
C29H47N5O7577.71283200
23166107

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21+,22+,24-,25-/m0/s1
C29H47N5O7577.71283300
9988529

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)/t18-,19-,20-,21-,23-,24-/m0/s1
C29H47N5O7577.71283200
65956

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24+,25+/m0/s1
C29H47N5O7577.71282200
8568835

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22?,24-,25-/m0/s1
C29H47N5O7577.71282100
12

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