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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 30 results

Search term: RAQNTCRNSXYLAH (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10229013

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1
C36H62O9638.8721565400
10229012

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36+/m0/s1
C36H62O9638.8721262200
2342204

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24?,25-,26?,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1
C36H62O9638.8720799999977700
23089635

11 of 16 defined stereocentres - 11/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23?,24+,25-,26-,27?,28?,29?,30-,31?,33+,34+,35+,36-/m0/s1
C36H62O9638.872152391
58805190

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34-,35+,36?/m0/s1
C36H62O9638.87215500
24541028

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21-,22-,23-,24-,25-,26+,27+,28+,29-,30+,31+,33+,34-,35-,36+/m0/s1
C36H62O9638.87214100
58802479

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24?,25-,26-,27+,28-,29+,30?,31+,33+,34-,35+,36-/m0/s1
C36H62O9638.87213300
68896055

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/m1/s1
C36H62O9638.87213100
101935808

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23?,24+,25-,26-,27+,28+,29?,30-,31+,33+,34+,35+,36-/m0/s1
C36H62O9638.87213300
78429443

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30?,31+,33+,34?,35+,36-/m0/s1
C36H62O9638.87212200
78429518

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,33+,34+,35+,36-/m0/s1
C36H62O9638.87212200
82966010

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36+/m1/s1
C36H62O9638.87212100
88297695

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30?,31+,33+,34+,35+,36-/m0/s1
C36H62O9638.87212100
4884724

8 of 16 defined stereocentres - 8/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20?,21?,22-,23+,24?,25?,26?,27+,28-,29+,30?,31+,33?,34+,35?,36-/m0/s1
C36H62O9638.87212200
10146555

14 of 16 defined stereocentres - 14/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24?,25-,26?,27+,28-,29+,30-,31+,33+,34+,35+,36+/m0/s1
C36H62O9638.87212100
138776

11 of 16 defined stereocentres - 11/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20?,21-,22+,23+,24?,25?,26?,27+,28-,29+,30?,31+,33+,34-,35+,36+/m0/s1
C36H62O9638.87212200
113609876

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,30-,31+,33-,34-,35-,36-/m1/s1
C36H62O9638.87211100
113612208

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,30-,31+,33-,34-,35-,36+/m1/s1
C36H62O9638.87211100
114391942

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,30+,31+,33-,34-,35-,36+/m1/s1
C36H62O9638.87211100
114816485

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,33-,34+,35-,36-/m0/s1
C36H62O9638.87211100
12

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