Matches any text strings used to describe a molecule.
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: C35H52O14 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
19956444

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35+/m1/s1
C35H52O14696.779171700
180257

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C35H52O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h3,11,18-23,25-32,36-37,39-44H,4-10,12-15H2,1-2H3/t18-,19+,20-,21+,22+,23+,25+,26+,27-,28-,29+,30+,31-,32+,33-,34+,35-/m0/s1
C35H52O14696.779131200
85150

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30+,31+,32-,33+,34+,35+/m1/s1
C35H52O14696.7799900
29766944

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C35H52O14/c1-16-24(38)26(40)28(42)30(46-16)48-19-4-9-33(15-36)21-5-8-32(3)20(18-12-23(37)45-14-18)7-11-35(32,44)22(21)6-10-34(33,13-19)49-31-29(43)27(41)25(39)17(2)47-31/h12,15-17,19-22,24-31,38-44H,4-11,13-14H2,1-3H3/t16-,17+,19-,20+,21-,22+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-/m0/s1
C35H52O14696.7795200
88298731

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C35H52O14/c1-33-8-5-18(46-32-30(28(42)26(40)23(14-37)48-32)49-31-29(43)27(41)25(39)22(13-36)47-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(38)45-15-16/h3,11,18-23,25-32,36-37,39-44H,4-10,12-15H2,1-2H3/t18-,19-,20-,21+,22+,23+,25+,26+,27-,28-,29+,30+,31-,32+,33+,34+,35+/m0/s1
C35H52O14696.7794300
17466435

14 of 17 defined stereocentres - 14/17 defined
InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19?,20-,21+,22-,23+,24-,26+,27-,28+,29-,30?,31?,32-,33+,34+,35+/m1/s1
C35H52O14696.7794100
2823445

0 of 17 defined stereocentres - 0/17 defined
InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3
C35H52O14696.77897999999841400
17461277

17 of 18 defined stereocentres - 17/18 defined
InChI=1/C35H52O14/c1-16-24(38)26(40)28(42)30(46-16)48-19-4-9-33(15-36)21-5-8-32(3)20(18-12-23(37)45-14-18)7-11-35(32,44)22(21)6-10-34(33,13-19)49-31-29(43)27(41)25(39)17(2)47-31/h12,15-17,19-22,24-31,38-44H,4-11,13-14H2,1-3H3/t16-,17+,19-,20+,21?,22+,24-,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35-/m0/s1
C35H52O14696.7793100
17465461

8 of 17 defined stereocentres - 8/17 defined
InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17?,19-,20+,21-,22+,23?,24?,26?,27?,28?,29?,30?,31?,32+,33-,34-,35-/m0/s1
C35H52O14696.7793100
22938258

2 of 17 defined stereocentres - 2/17 defined
InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17?,19?,20?,21-,22+,23?,24?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?/m0/s1
C35H52O14696.7793200
23311734

18 of 18 defined stereocentres - 18/18 defined
InChI=1/C35H52O14/c1-16-30(49-32-28(42)26(40)25(39)23(13-36)48-32)27(41)29(43)31(46-16)47-19-5-9-34(15-37)18(12-19)3-4-22-21(34)6-8-33(2)20(7-10-35(22,33)44)17-11-24(38)45-14-17/h11,15-16,18-23,25-32,36,39-44H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-/m0/s1
C35H52O14696.7792200
29213453

Double-bond stereo

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C35H52O14/c1-9-11-12-13-14-15-25(40)48-27-19(3)18-23-35(44,34(8,31(42)47-23)49-24(39)10-2)30(46-21(5)37)28-32(6,17-16-22(38)33(28,7)43)29(26(27)41)45-20(4)36/h16-18,22-23,26-30,38,41,43-44H,9-15H2,1-8H3/b19-18-/t22-,23+,26-,27+,28-,29+,30-,32+,33-,34-,35+/m1/s1
C35H52O14696.7792200
180171

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C35H52O14/c1-32-7-4-24-25(35(32,44)10-6-23(32)20-13-27(39)47-16-20)5-9-34(43)14-22(3-8-33(24,34)19-37)46-12-2-11-45-17-21(38)18-48-31-30(42)29(41)28(40)26(15-36)49-31/h13,19,22-26,28-31,36,40-44H,2-12,14-18H2,1H3
C35H52O14696.7792200
2969425

0 of 18 defined stereocentres - 0/18 defined
InChI=1/C35H52O14/c1-16-24(38)26(40)28(42)30(46-16)48-19-4-9-33(15-36)21-5-8-32(3)20(18-12-23(37)45-14-18)7-11-35(32,44)22(21)6-10-34(33,13-19)49-31-29(43)27(41)25(39)17(2)47-31/h12,15-17,19-22,24-31,38-44H,4-11,13-14H2,1-3H3
C35H52O14696.7789799999982100
4885035

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28-,29-,30-,31+,32-,33?,34+,35+/m1/s1
C35H52O14696.7792200
8208198

14 of 17 defined stereocentres - 14/17 defined
InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21?,22?,23+,24-,26?,27-,28+,29-,30-,31+,32-,33+,34+,35+/m1/s1
C35H52O14696.7792100
8276736

16 of 17 defined stereocentres - 16/17 defined
InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3/t17-,19+,20-,21+,22?,23-,24-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35+/m1/s1
C35H52O14696.7792100
9321986

17 of 17 defined stereocentres - 17/17 defined
InChI=1/C35H52O14/c1-16-26(38)27(39)28(40)30(47-16)49-29-17(2)46-25(13-23(29)36)48-19-4-10-34(31(41)42)21-5-8-32(3)20(18-12-24(37)45-15-18)7-11-35(32,44)22(21)6-9-33(34,43)14-19/h12,16-17,19-23,25-30,36,38-40,43-44H,4-11,13-15H2,1-3H3,(H,41,42)/t16-,17+,19-,20+,21-,22+,23-,25-,26-,27+,28+,29+,30-,32+,33-,34+,35-/m0/s1
C35H52O14696.7792100
9939956

15 of 19 defined stereocentres - 15/19 defined
InChI=1/C35H52O14/c1-16-24(38)26(40)28(42)30(45-16)47-18-6-11-33(15-36)19-7-10-32(3)21(22-4-5-23(37)48-22)9-13-35(32,44)20(19)8-12-34(33,14-18)49-31-29(43)27(41)25(39)17(2)46-31/h4-5,15-22,24-31,38-44H,6-14H2,1-3H3/t16-,17-,18-,19?,20?,21+,22?,24-,25-,26+,27+,28+,29+,30-,31?,32+,33-,34-,35-/m0/s1
C35H52O14696.7792100
21957

10 of 17 defined stereocentres - 10/17 defined
InChI=1/C35H52O14/c1-17-30(23(37)12-26(39)47-17)46-15-24-27(40)28(41)29(42)31(49-24)48-19-3-8-33(16-36)21-4-7-32(2)20(18-11-25(38)45-14-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,37,39-44H,3-10,12-15H2,1-2H3/t17?,19-,20+,21?,22?,23?,24?,26-,27+,28?,29?,30-,31+,32+,33-,34-,35-/m0/s1
C35H52O14696.7792200
12

Advertisement