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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 37 results

Search term: C26H45NO5S (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
388820

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
C26H45NO5S483.704236521026
3712304

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)
C26H45NO5S483.704286000
10150

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17?,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
C26H45NO5S483.70425400
397703

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18-,19-,20+,21-,22+,23?,25+,26-/m1/s1
C26H45NO5S483.70423300
22572442

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H45NO5S/c1-6-9-10-11-12-13-14-15-16-17-26(28)27(22(4)7-2)21-23-18-19-24(31-5)25(20-23)32-33(29,30)8-3/h18-20,22H,6-17,21H2,1-5H3
C26H45NO5S483.70423200
22587534
InChI=1/C26H45NO5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-26(28)27(22(2)3)21-23-18-19-24(31-4)25(20-23)32-33(5,29)30/h18-20,22H,6-17,21H2,1-5H3
C26H45NO5S483.70423200
25034633

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C26H45NO5S/c1-19(6-3-4-13-27-33(31,32)15-14-28)24-10-11-25-21(7-5-12-26(24,25)2)9-8-20-16-22(29)18-23(30)17-20/h8-9,19,22-25,27-30H,3-7,10-18H2,1-2H3/b21-9+/t19-,22-,23-,24-,25+,26-/m1/s1
C26H45NO5S483.70422200
58887330

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H45NO5S/c1-17(7-10-23(29)27-14-15-33(30,31)32)19-8-9-20-24-21(11-13-26(19,20)3)25(2)12-5-4-6-18(25)16-22(24)28/h17-22,24,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18+,19-,20+,21+,22-,24+,25+,26-/m1/s1
C26H45NO5S483.70422200
58887333

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H45NO5S/c1-17(7-10-23(29)27-14-15-33(30,31)32)19-8-9-20-24-21(11-13-26(19,20)3)25(2)12-5-4-6-18(25)16-22(24)28/h17-22,24,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17-,18+,19-,20+,21+,22+,24+,25+,26-/m1/s1
C26H45NO5S483.70422200
4479317

4 of 9 defined stereocentres - 4/9 defined
InChI=1/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17?,18-,19?,20?,21-,22?,23?,25+,26-/m1/s1
C26H45NO5S483.70422200
8002355

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17?,18?,19-,20+,21-,22+,23+,25+,26-/m1/s1
C26H45NO5S483.70422100
102617011
InChI=1/C26H45NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27(21-19-26(28)29)24-17-18-25(23(2)22-24)33(30,31)32/h17-18,22H,3-16,19-21H2,1-2H3,(H,28,29)(H,30,31,32)
C26H45NO5S483.70421100
102617356
InChI=1/C26H45NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(26(28)22-32-3)24-18-19-25(23(2)21-24)33(29,30)31/h18-19,21H,4-17,20,22H2,1-3H3,(H,29,30,31)
C26H45NO5S483.70421100
102617635

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C26H45NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(23(3)26(28)29)24-18-19-25(22(2)21-24)33(30,31)32/h18-19,21,23H,4-17,20H2,1-3H3,(H,28,29)(H,30,31,32)
C26H45NO5S483.70421100
103531034
InChI=1/C26H45NO5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27(26(2,3)25(28)29)23-20-17-18-21-24(23)33(30,31)32/h17-18,20-21H,4-16,19,22H2,1-3H3,(H,28,29)(H,30,31,32)
C26H45NO5S483.70421100
103531067
InChI=1/C26H45NO5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27(23-26(28)32-4-2)24-20-17-18-21-25(24)33(29,30)31/h17-18,20-21H,3-16,19,22-23H2,1-2H3,(H,29,30,31)
C26H45NO5S483.70421100
123364949
InChI=1/C26H45NO5S/c1-6-8-9-10-11-12-13-14-15-27-19-24(32-20-25(29)31-17-16-30-7-2)23(28)18-22(27)21-33-26(3,4)5/h18-19H,6-17,20-21H2,1-5H3
C26H45NO5S483.70421100
123427155
InChI=1/C26H45NO5S/c1-3-5-7-9-10-11-12-13-15-27-20-25(24(29)19-23(27)22-33-18-16-28)32-21-26(30)31-17-14-8-6-4-2/h19-20,28H,3-18,21-22H2,1-2H3
C26H45NO5S483.70421100
12

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