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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 13 results

Search term: C26H43NO7S (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65188

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
C26H43NO7S513.6871232700
8182246

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-20,22,24,28,30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,22+,24+,25+,26-/m1/s1
C26H43NO7S513.68717500
2858755

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)
C26H43NO7S513.687123100
8611908

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16?,17?,18-,19+,20-,21+,22+,25+,26-/m1/s1
C26H43NO7S513.68712100
114175

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C26H43NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-20,22,24,28,30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19?,20?,22+,24?,25+,26-/m1/s1
C26H43NO7S513.68712200
166566

7 of 10 defined stereocentres - 7/10 defined
InChI=1/C26H43NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19?,20?,21-,24?,25+,26-/m1/s1
C26H43NO7S513.68712200
23189182

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C26H43NO7S/c1-14-8-7-9-19(28)21(11-20(29)15(2)10-18-13-35-17(4)27-18)34-23(31)12-22(30)26(5,6)25(33)16(3)24(14)32/h13-16,19-22,24,28-30,32H,7-12H2,1-6H3/t14-,15?,16+,19+,20?,21+,22-,24-/m0/s1
C26H43NO7S513.68712200
61714372

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h14-19,21-22,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16-,17+,18+,19+,21-,22+,24+,25+,26-/m1/s1
C26H43NO7S513.68712200
103507958

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H43NO7S/c1-3-5-7-9-11-13-15-23(25(28)29)27(21-17-19-22(20-18-21)35(32,33)34)24(26(30)31)16-14-12-10-8-6-4-2/h17-20,23-24H,3-16H2,1-2H3,(H,28,29)(H,30,31)(H,32,33,34)
C26H43NO7S513.68711100
103531238

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C26H43NO7S/c1-3-5-7-9-11-13-18-22(25(28)29)27(21-17-15-16-20-24(21)35(32,33)34)23(26(30)31)19-14-12-10-8-6-4-2/h15-17,20,22-23H,3-14,18-19H2,1-2H3,(H,28,29)(H,30,31)(H,32,33,34)
C26H43NO7S513.68711100
117216995

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C26H43NO7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(30)15-14-17-25(31)32)35-20-22(27)26(33)34-19-21(29)18-28/h6-7,9-13,16,21-24,28-30H,2-5,8,14-15,17-20,27H2,1H3,(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t21-,22-,23-,24+/m0/s1
C26H43NO7S513.68711100
117217035

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C26H43NO7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-24(23(30)15-14-17-25(31)32)35-20-22(27)26(33)34-21(18-28)19-29/h6-7,9-13,16,21-24,28-30H,2-5,8,14-15,17-20,27H2,1H3,(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24+/m0/s1
C26H43NO7S513.68711100
19993124

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C26H43NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
C26H43NO7S513.68711100

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