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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
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Single/Multi-component
Isotopically Labeled
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Found 113 results

Search term: C28H32O14 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4475957

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1
C28H32O14592.5453766406
10197316

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H32O14/c1-36-13-5-3-12(4-6-13)17-9-15(29)21-18(40-17)7-14(37-2)8-19(21)41-28-26(35)24(33)23(32)20(42-28)11-39-27-25(34)22(31)16(30)10-38-27/h3-9,16,20,22-28,30-35H,10-11H2,1-2H3/t16-,20-,22+,23-,24+,25-,26-,27+,28-/m1/s1
C28H32O14592.5453272200
16498777

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-30,32-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
C28H32O14592.5453252701
4586974

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3
C28H32O14592.5453133000
4444262

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3/b7-5+,8-6+/t20-,25-,26+,27-,28+/m1/s1
C28H32O14592.54528121300
21859027

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C28H32O14/c1-12-8-19-23(13(2)18(27(34)40-19)10-22(33)35-7)20(9-12)41-28-26(39-17(6)32)25(38-16(5)31)24(37-15(4)30)21(42-28)11-36-14(3)29/h8-9,21,24-26,28H,10-11H2,1-7H3/t21-,24-,25+,26-,28-/m1/s1
C28H32O14592.545311800
34999318

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-14(31)7-13(30)18-15(32)8-16(40-25(18)19)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-24,26-31,33-37H,9H2,1-2H3/t10-,17+,20-,21+,22+,23-,24+,26-,27+,28-/m0/s1
C28H32O14592.5453101100
391977

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-16(38-2)8-14(32)18-13(31)7-15(40-25(18)19)11-3-5-12(30)6-4-11/h3-8,10,17,20-24,26-30,32-37H,9H2,1-2H3/t10-,17+,20-,21+,22+,23-,24+,26-,27+,28-/m0/s1
C28H32O14592.5453101100
5140923

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28-/m0/s1
C28H32O14592.54538800
103883430

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-14(31)8-16-18(22(19)34)13(30)7-15(40-16)11-3-5-12(38-2)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3/t10-,17+,20-,21+,23+,24-,25+,26-,27+,28-/m0/s1
C28H32O14592.54538800
9803306

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H32O14/c1-36-14-5-3-13(4-6-14)16-9-38-17-8-19(18(37-2)7-15(17)21(16)30)41-26-24(33)23(32)22(31)20(42-26)10-39-27-25(34)28(35,11-29)12-40-27/h3-9,20,22-27,29,31-35H,10-12H2,1-2H3/t20-,22-,23+,24-,25+,26-,27-,28-/m1/s1
C28H32O14592.54536300
9831970

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C28H32O14/c1-36-14-5-3-13(4-6-14)16-9-38-23-15(19(16)30)7-8-17(24(23)37-2)41-26-22(33)21(32)20(31)18(42-26)10-39-27-25(34)28(35,11-29)12-40-27/h3-9,18,20-22,25-27,29,31-35H,10-12H2,1-2H3/t18-,20-,21+,22-,25+,26-,27-,28-/m1/s1
C28H32O14592.54536400
8636493

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-10-20(32)23(35)25(37)28(39-10)42-27-24(36)21(33)17(9-29)41-26(27)19-15(38-2)8-16-18(22(19)34)13(31)7-14(40-16)11-3-5-12(30)6-4-11/h3-8,10,17,20-21,23-30,32-37H,9H2,1-2H3/t10-,17+,20-,21+,23+,24-,25+,26-,27+,28-/m0/s1
C28H32O14592.54535400
34448575

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-16(38-2)8-14(32)18-13(31)7-15(40-25(18)19)11-3-5-12(30)6-4-11/h3-8,10,17,20-24,26-30,32-37H,9H2,1-2H3/t10-,17+,20-,21+,22+,23-,24+,26-,27+,28+/m0/s1
C28H32O14592.54535600
9214401

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H32O14/c1-10-23(33)14(32)7-17(39-10)22-19(41-28-27(37)26(36)24(34)20(9-29)42-28)8-18-21(25(22)35)13(31)6-16(40-18)11-3-4-15(38-2)12(30)5-11/h3-6,8,10,14,17,20,23-24,26-30,32-37H,7,9H2,1-2H3/t10-,14+,17+,20+,23+,24+,26-,27+,28+/m0/s1
C28H32O14592.54534300
8778908

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20-21,23-29,31-37H,1-3H3/t9-,10-,20-,21+,23+,24+,25+,26+,27-,28-/m0/s1
C28H32O14592.54534300
95502718

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-9-4-12-17(14(29)5-9)22(33)18-13(20(12)31)6-11(38-3)7-15(18)41-28-26(37)24(35)21(32)16(42-28)8-39-27-25(36)23(34)19(30)10(2)40-27/h4-7,10,16,19,21,23-30,32,34-37H,8H2,1-3H3/t10-,16+,19-,21+,23+,24-,25+,26+,27+,28+/m0/s1
C28H32O14592.54534500
8826433

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C28H32O14/c1-36-13-5-3-12(4-6-13)17-9-15(29)21-18(37-2)7-14(8-19(21)41-17)40-28-26(35)24(33)23(32)20(42-28)11-39-27-25(34)22(31)16(30)10-38-27/h3-9,16,20,22-28,30-35H,10-11H2,1-2H3/t16-,20-,22+,23-,24+,25-,26-,27+,28-/m1/s1
C28H32O14592.54533200
58824333

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C28H32O14/c1-11-20(30)23(33)25(35)27(40-11)39-10-18-22(32)24(34)26(36)28(42-18)41-14-7-16(29)19-17(8-14)38-9-15(21(19)31)12-3-5-13(37-2)6-4-12/h3-9,11,18,20,22-30,32-36H,10H2,1-2H3/t11-,18+,20-,22+,23+,24-,25+,26+,27+,28+/m0/s1
C28H32O14592.54533300
24622283

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C28H32O14/c1-36-13-5-3-12(4-6-13)15-9-20(30)40-17-7-14(37-2)8-18(21(15)17)41-28-26(35)24(33)23(32)19(42-28)11-39-27-25(34)22(31)16(29)10-38-27/h3-9,16,19,22-29,31-35H,10-11H2,1-2H3/t16-,19-,22+,23-,24+,25-,26-,27+,28-/m1/s1
C28H32O14592.54533300
12345

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