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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 15 results

Search term: C33H44O15 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8230902

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H44O15/c1-7-17(2)15-18(3)10-11-23(35)46-26-25(36)31(47-27(28(37)38)32(43,29(39)40)33(26,48-31)30(41)42)13-12-19(4)24(45-21(6)34)20(5)16-22-9-8-14-44-22/h8-11,14,17-18,20,24-27,36,43H,4,7,12-13,15-16H2,1-3,5-6H3,(H,37,38)(H,39,40)(H,41,42)/b11-10+/t17-,18+,20+,24+,25+,26+,27+,31-,32+,33-/m0/s1
C33H44O15680.69352100
8502681

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H44O15/c1-17-26(36)27(37)28(38)33(45-17)48-31-29(39)32(44-13-12-19-7-10-21(41-3)23(15-19)43-5)46-24(16-34)30(31)47-25(35)11-8-18-6-9-20(40-2)22(14-18)42-4/h6-11,14-15,17,24,26-34,36-39H,12-13,16H2,1-5H3/b11-8+/t17-,24-,26+,27-,28-,29-,30+,31-,32-,33+/m1/s1
C33H44O15680.69352100
8614970

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H44O15/c1-17-26(36)27(37)28(38)33(45-17)48-31-29(39)32(44-13-12-19-7-10-21(41-3)23(15-19)43-5)46-24(16-34)30(31)47-25(35)11-8-18-6-9-20(40-2)22(14-18)42-4/h6-11,14-15,17,24,26-34,36-39H,12-13,16H2,1-5H3/b11-8+/t17-,24+,26-,27+,28+,29+,30+,31+,32+,33-/m0/s1
C33H44O15680.69352100
8779944

Double-bond stereo

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C33H44O15/c1-16(5-6-19-8-11-22(42-3)23(14-19)43-4)45-33-30(41)31(48-32-29(40)28(39)26(37)17(2)46-32)27(38)24(47-33)15-44-25(36)12-9-18-7-10-20(34)21(35)13-18/h7-14,16-17,24,26-35,37-41H,5-6,15H2,1-4H3/b12-9+/t16?,17-,24+,26-,27+,28+,29+,30+,31-,32-,33+/m0/s1
C33H44O15680.69352100
10194501

Double-bond stereo

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C33H44O15/c1-7-13(2)24(36)45-16-9-15(34)30-11-44-20(25(37)41-5)21(30)28(3)23(19-22(30)31(16,12-43-19)26(38)42-6)48-29(4)14-8-17(33(28,29)40)46-27-32(14,39)10-18(35)47-27/h7,14-23,27,34-35,39-40H,8-12H2,1-6H3/b13-7+/t14-,15+,16-,17+,18+,19-,20+,21+,22-,23-,27+,28+,29-,30-,31+,32?,33+/m1/s1
C33H44O15680.69352200
30770911

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H44O15/c1-15(2)11-24(39)48-27-25(44-18(5)36)28(45-19(6)37)32(14-42-32)26-29(46-20(7)38)33(41)16(3)30(40)47-23(33)12-21(13-34)9-10-22(31(26,27)8)43-17(4)35/h9-10,12,15-16,22-23,25-29,34,41H,11,13-14H2,1-8H3/b10-9-,21-12+/t16-,22-,23-,25+,26+,27-,28+,29-,31+,32-,33-/m0/s1
C33H44O15680.69352200
34981584

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H44O15/c1-15(2)11-24(39)48-25-27(44-18(5)36)31(8)22(43-17(4)35)10-9-21(13-34)12-23-33(41,16(3)30(40)47-23)29(46-20(7)38)26(31)32(14-42-32)28(25)45-19(6)37/h9-10,12,15-16,22-23,25-29,34,41H,11,13-14H2,1-8H3/b10-9-,21-12+/t16-,22-,23-,25+,26+,27-,28+,29-,31+,32-,33-/m0/s1
C33H44O15680.69352200
27025680

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C33H44O15/c1-15(2)11-24(39)48-28-25(44-18(5)36)27(45-19(6)37)31(8)22(43-17(4)35)10-9-21(13-34)12-23-33(41,16(3)30(40)47-23)29(46-20(7)38)26(31)32(28)14-42-32/h9-10,12,15-16,22-23,25-29,34,41H,11,13-14H2,1-8H3/b10-9-,21-12+/t16-,22-,23-,25+,26+,27-,28+,29-,31+,32-,33-/m0/s1
C33H44O15680.69352200
28287613

12 of 12 defined stereocentres - 12/12 defined
InChI=1/C33H44O15/c1-11-23(39)46-26-20-12-21(42-15(4)34)25-31(10)22(13-24(40)48-31)33(41,14(2)3)28(44-17(6)36)27(43-16(5)35)32(25,26)29(45-18(7)37)30(20,9)47-19(8)38/h20-22,25-29,41H,2,11-13H2,1,3-10H3/t20-,21+,22+,25+,26-,27-,28-,29+,30+,31+,32+,33+/m1/s1
C33H44O15680.69351100
59651120

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C33H44O15/c1-13(34)43-18-10-32(38)14-8-17(44-26(32)45-18)33(29(14,5)48-33)28(4)21-20(24(36)39-6)42-11-30(21)15-9-16(47-27(2,3)46-15)31(25(37)40-7)12-41-19(22(30)31)23(28)35/h14-23,26,35,38H,8-12H2,1-7H3/t14-,15?,16?,17+,18-,19-,20+,21+,22-,23-,26-,28+,29+,30-,31+,32+,33+/m1/s1
C33H44O15680.69351100
59651122

15 of 17 defined stereocentres - 15/17 defined
InChI=1/C33H44O15/c1-13(34)43-18-10-32(38)14-8-17(44-26(32)45-18)33(29(14,5)48-33)28(4)21-20(24(36)39-6)42-11-30(21)15-9-16(47-27(2,3)46-15)31(25(37)40-7)12-41-19(22(30)31)23(28)35/h14-23,26,35,38H,8-12H2,1-7H3/t14-,15?,16?,17+,18+,19-,20+,21+,22-,23-,26-,28+,29+,30-,31+,32+,33+/m1/s1
C33H44O15680.69351100
107451305

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C33H44O15/c1-16-13-26(30(44-19(4)36)32(46-21(6)38)28(16)42-17(2)34)41-15-23-14-27(48-25-12-10-9-11-24(25)40-8)31(45-20(5)37)33(47-22(7)39)29(23)43-18(3)35/h9-12,16,23,26-33H,13-15H2,1-8H3/t16-,23-,26-,27-,28+,29-,30+,31+,32-,33+/m1/s1
C33H44O15680.69351100
113613748

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C33H44O15/c1-42-21-7-14(3-5-19(21)46-23-9-16(10-34)25(36)28(39)26(23)37)31-17-12-45-32(18(17)13-44-31)15-4-6-20(22(8-15)43-2)47-33-30(41)29(40)27(38)24(11-35)48-33/h3-8,16-18,23-41H,9-13H2,1-2H3/t16-,17+,18+,23-,24-,25-,26+,27-,28+,29+,30-,31-,32-,33-/m1/s1
C33H44O15680.69351100
10374964

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H44O15/c1-13(34)43-18-10-32(38)14-8-17(44-26(32)45-18)33(29(14,5)48-33)28(4)21-20(24(36)39-6)42-11-30(21)15-9-16(47-27(2,3)46-15)31(25(37)40-7)12-41-19(22(30)31)23(28)35/h14-23,26,35,38H,8-12H2,1-7H3/t14-,15+,16-,17+,18-,19-,20+,21+,22-,23-,26-,28+,29+,30-,31+,32+,33+/m1/s1
C33H44O15680.69351100
10374965

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C33H44O15/c1-13(34)43-18-10-32(38)14-8-17(44-26(32)45-18)33(29(14,5)48-33)28(4)21-20(24(36)39-6)42-11-30(21)15-9-16(47-27(2,3)46-15)31(25(37)40-7)12-41-19(22(30)31)23(28)35/h14-23,26,35,38H,8-12H2,1-7H3/t14-,15+,16-,17+,18+,19-,20+,21+,22-,23-,26-,28+,29+,30-,31+,32+,33+/m1/s1
C33H44O15680.69351100

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