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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 76 results

Search term: C29H45NO4 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3022989

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-27(24-18-20-25(34-3)21-19-24)26(23(2)31)28(32)29(30)33/h18-21,27,32H,4-17,22H2,1-3H3
C29H45NO4471.671900000001141000
17462207

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H45NO4/c1-3-4-7-10-25(31)17-15-24-16-20-28(32)27(24)11-8-5-6-9-12-29(33)30-22-21-23-13-18-26(34-2)19-14-23/h13-15,17-19,24-25,27,31H,3-12,16,20-22H2,1-2H3,(H,30,33)/b17-15+/t24-,25-,27+/m0/s1
C29H45NO4471.671912900
17462218

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C29H45NO4/c1-3-4-7-13-25(31)19-17-23-18-20-27(32)26(23)14-8-5-6-9-16-29(33)30-22-21-24-12-10-11-15-28(24)34-2/h10-12,15,17,19,23,25-26,31H,3-9,13-14,16,18,20-22H2,1-2H3,(H,30,33)/b19-17+/t23-,25-,26+/m0/s1
C29H45NO4471.671912900
12944912

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C29H45NO4/c1-16-5-8-27-29(4,33)23-7-6-19-20(22(23)15-30(27)14-16)12-24-21(19)13-26(32)25-11-18(34-17(2)31)9-10-28(24,25)3/h16,18-25,27,33H,5-15H2,1-4H3/t16-,18-,19+,20+,21-,22-,23+,24-,25+,27-,28+,29-/m0/s1
C29H45NO4471.671912800
2532658

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C29H45NO4/c1-17(16-30-19(3)31)6-9-25(33)18(2)27-26(34)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-24,27,32H,6,8-16H2,1-5H3,(H,30,31)
C29H45NO4471.671910500
29768771

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C29H45NO4/c1-18(6-11-27(33)30-17-21-5-4-14-34-21)23-9-10-24-22-8-7-19-15-20(31)12-13-28(19,2)25(22)16-26(32)29(23,24)3/h4-5,14,18-20,22-26,31-32H,6-13,15-17H2,1-3H3,(H,30,33)/t18-,19-,20-,22+,23-,24+,25+,26+,28+,29-/m1/s1
C29H45NO4471.67198500
17460102

9 of 12 defined stereocentres - 9/12 defined
InChI=1/C29H45NO4/c1-16-5-8-27-29(4,33)23-7-6-19-20(22(23)15-30(27)14-16)12-24-21(19)13-26(32)25-11-18(34-17(2)31)9-10-28(24,25)3/h16,18-25,27,33H,5-15H2,1-4H3/t16-,18?,19+,20+,21-,22?,23?,24-,25+,27-,28+,29-/m0/s1
C29H45NO4471.67197300
4428472
InChI=1/C29H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-28(31)26-22-24-18-19-25(33-21-4-2)23-27(24)34-29(26)32/h18-19,22-23H,3-17,20-21H2,1-2H3,(H,30,31)
C29H45NO4471.6719000000016400
308427

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C29H45NO4/c1-15-12-23-26(30(14-15)18(4)31)17(3)29(34-23)11-9-21-22-7-6-19-13-20(32)8-10-28(19,5)25(22)27(33)24(21)16(29)2/h15-17,19-26,32H,6-14H2,1-5H3
C29H45NO4471.67195400
24765758

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,27H,5,8,11,14,17,20,23-26H2,1-4H3/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
C29H45NO4471.67195600
21781524

6 of 12 defined stereocentres - 6/12 defined
InChI=1/C29H45NO4/c1-16-5-8-27-29(4,33)23-7-6-19-20(22(23)15-30(27)14-16)12-24-21(19)13-26(32)25-11-18(34-17(2)31)9-10-28(24,25)3/h16,18-25,27,33H,5-15H2,1-4H3/t16?,18?,19-,20-,21?,22?,23?,24+,25-,27+,28?,29+/m1/s1
C29H45NO4471.67194300
499523

0 of 12 defined stereocentres - 0/12 defined
InChI=1/C29H45NO4/c1-16-5-8-27-29(4,33)23-7-6-19-20(22(23)15-30(27)14-16)12-24-21(19)13-26(32)25-11-18(34-17(2)31)9-10-28(24,25)3/h16,18-25,27,33H,5-15H2,1-4H3
C29H45NO4471.67194400
17463250

5 of 9 defined stereocentres - 5/9 defined
InChI=1/C29H45NO4/c1-17(2)24-16-26(34-30-24)29(6,32)25-10-9-22-21-8-7-19-15-20(33-18(3)31)11-13-27(19,4)23(21)12-14-28(22,25)5/h7,17,20-23,25-26,32H,8-16H2,1-6H3/t20-,21?,22?,23?,25?,26+,27-,28-,29+/m0/s1
C29H45NO4471.67194100
17464210

3 of 8 defined stereocentres - 3/8 defined
InChI=1/C29H45NO4/c1-19-17-25-23-6-5-21-18-22(34-26(32)9-12-30-13-15-33-16-14-30)7-10-28(21,3)24(23)8-11-29(25,4)27(19)20(2)31/h5,19,22-25,27H,6-18H2,1-4H3/t19-,22?,23?,24?,25?,27?,28+,29+/m1/s1
C29H45NO4471.67193100
4528132

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C29H45NO4/c1-20(10-7-14-24(32)15-9-17-31)11-8-16-25-28(33)22(3)21(2)27-26(30-19-29(25,27)34)18-23-12-5-4-6-13-23/h4-6,8,12-13,16,20-21,24-28,30-34H,3,7,9-11,14-15,17-19H2,1-2H3/b16-8+
C29H45NO4471.67193400
24777602
InChI=1/C29H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-30-27(31)25-26-28(30)32/h2-12,17-26H2,1H3
C29H45NO4471.67193100
28510793

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(27-28(32)26(22-31)34-29(27)33)30-21-24-19-17-23(2)18-20-24/h17-20,26,30-31H,3-16,21-22H2,1-2H3
C29H45NO4471.67193300
28521352

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25(27-28(32)26(22-31)34-29(27)33)30-21-24-18-16-17-23(2)20-24/h16-18,20,26,30-31H,3-15,19,21-22H2,1-2H3
C29H45NO4471.67193300
28521655

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25(27-28(32)26(22-31)34-29(27)33)30-21-24-19-17-16-18-23(24)2/h16-19,26,30-31H,3-15,20-22H2,1-2H3
C29H45NO4471.67193300
34251991

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25(27-28(32)26(22-31)34-29(27)33)30-21-24-18-16-17-23(2)20-24/h16-18,20,26,30-31H,3-15,19,21-22H2,1-2H3/b27-25-
C29H45NO4471.67193400
1234

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