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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
Additional Filters

Found 32 results

Search term: HESCAJZNRMSMJG (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
395491

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1
C26H39NO6S493.65678706148
57577451

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/t14-,16+,19+,20-,21-,22-,24-/m0/s1
C26H39NO6S493.6567700
10605950

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+
C26H39NO6S493.656615700
9014194

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22+,24-/m0/s1
C26H39NO6S493.6564400
9354516

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19-,20-,21-,22-,24-/m0/s1
C26H39NO6S493.6563200
24640590

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24?/m0/s1
C26H39NO6S493.6563400
26333165

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20?,21-,22-,24-/m0/s1
C26H39NO6S493.6563300
58131964

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/t14-,16+,19+,20-,21+,22-,24+/m0/s1
C26H39NO6S493.6563300
77498636

Double-bond stereo

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19-,20?,21+,22-,24+/m0/s1
C26H39NO6S493.6563200
9974092

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14?,16?,19-,20?,21+,22?,24?/m1/s1/i32+2
C26H39NO518OS495.65572200
9148256

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19?,20-,21?,22-,24-/m0/s1
C26H39NO6S493.6562100
8024273

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19-,20-,21+,22-,24-/m0/s1
C26H39NO6S493.6562100
8633824

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16-,19+,20+,21+,22+,24-/m0/s1
C26H39NO6S493.6562100
8680871

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14?,16?,19-,20?,21+,22?,24?/m1/s1/i20+1,22+1,24+1,25+1
C2213C4H39NO6S497.62662200
8728615

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19-,20-,21+,22+,24-/m0/s1
C26H39NO6S493.6562100
8728818

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14?,16?,19-,20?,21+,22?,24?/m1/s1/i14+1,15+1,16+1,26+1,32+2
C2213C4H39NO518OS499.62632200
8753139

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14?,16?,19-,20?,21+,22?,24?/m1/s1/i1+1,2+1,3+1,4+1,5+1,7+1,8+1,9+1,11+1,12+1,14+1,15+1,16+1,17+1,19+1,20+1,21+1,22+1,23+1,24+1,25+1,26+1/t14?,16?,19-,20?,21+,22?,24?,26?
C413C22H39NO6S515.49442200
8919136

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14?,16?,19-,20?,21+,22?,24?/m1/s1/i5+1/t14?,16?,19-,20?,21+,22?,24?,26?
C2513CH39NO6S494.64862200
8919196

Double-bond stereo

2 of 7 defined stereocentres - 2/7 defined

Non-standard isotope
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14?,16?,19-,20?,21+,22?,24?/m1/s1/i34+3
C26H39NO635S496.562200
344721

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/t14-,16-,19-,20-,21+,22+,24-/m0/s1
C26H39NO6S493.6562100
12

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