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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: C36H61NaO11 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4885479

Charge

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1
C36H61NaO11692.8527353400
17345823

Charge

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35?,36-;/m0./s1
C36H61NaO11692.8527272500
2016806

Charge

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24?,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1
C36H61NaO11692.852709999998172348119
4588363

Charge

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-;/m0./s1
C36H61NaO11692.8527141100
4932208

Charge

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1
C36H61NaO11692.8527115200
17460052

Charge

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24+,25-,26+,27+,28-,29-,30-,31+,33?,34-,35?,36-;/m0./s1
C36H61NaO11692.85279500
5036807

Charge

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,33+,34-,35+,36-;/m1./s1
C36H61NaO11692.85273300
31035978

Charge

15 of 16 defined stereocentres - 15/16 defined
InChI=1/C36H62O11.Na/c1-10-34(30-21(3)16-26(43-30)28-20(2)15-22(4)36(41,19-37)45-28)12-11-27(44-34)32(7)13-14-35(46-32)18-25(38)17-33(8,47-35)24(6)29(42-9)23(5)31(39)40;/h20-30,37-38,41H,10-19H2,1-9H3,(H,39,40);/q;+1/p-1/t20-,21-,22+,23?,24-,25+,26+,27+,28-,29-,30+,32-,33-,34-,35-,36-;/m0./s1
C36H61NaO11692.85273200
78429659

Charge

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20+,21+,22+,23+,24-,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-;/m0./s1
C36H61NaO11692.85273300
82966371

Charge

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22-,23-,24?,25-,26+,27-,28-,29-,30-,31-,33+,34+,35+,36?;/m0./s1
C36H61NaO11692.85272500
71116822

Charge

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23+,24?,25-,26+,27+,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1
C36H61NaO11692.85272200
26563524

Charge

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C36H62O11.Na.2H/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;;;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);;;/q;+1;;/p-1/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29+,30+,31+,33+,34+,35?,36-;;;/m1.../s1/rC36H62O11.H2Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);1H2/q;+1/p-1/t19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29+,30+,31+,33+,34+,35?,36-;/m1./s1
C36H61NaO11692.85272100
29787539

Charge

10 of 17 defined stereocentres - 10/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22?,23+,24?,25-,26+,27?,28-,29?,30-,31?,33?,34?,35+,36-;/m0./s1
C36H61NaO11692.85271100
24921417

Charge

14 of 17 defined stereocentres - 14/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24?,25-,26?,27?,28-,29+,30-,31+,33-,34-,35+,36-;/m0./s1
C36H61NaO11692.85271100
113630590

Charge

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20-,21+,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,33-,34-,35?,36-;/m1./s1
C36H61NaO11692.85271100
12

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