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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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Isotopically Labeled
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Found 112 results

Search term: C27H32O15 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
75327

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
C27H32O15596.534537500
102656

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
C27H32O15596.534515800
10306070

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16?,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
C27H32O15596.534292852
439851

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H32O15/c1-9-3-12(29)18-13(39-9)5-10-4-11(37-2)6-14(17(10)21(18)32)40-27-25(36)23(34)20(31)16(42-27)8-38-26-24(35)22(33)19(30)15(7-28)41-26/h3-6,15-16,19-20,22-28,30-36H,7-8H2,1-2H3/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
C27H32O15596.534252000
21468792

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16?,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
C27H32O15596.534151500
8802707

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H32O15/c1-9-3-12(29)18-13(30)5-10-4-11(37-2)6-14(17(10)25(18)39-9)40-27-24(36)22(34)20(32)16(42-27)8-38-26-23(35)21(33)19(31)15(7-28)41-26/h3-6,15-16,19-24,26-28,30-36H,7-8H2,1-2H3/t15-,16-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
C27H32O15596.534141200
58914105

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H32O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h3-6,14-15,18-19,21-24,26-35H,7-8H2,1-2H3/t14-,15-,18-,19-,21+,22+,23-,24-,26-,27-/m1/s1
C27H32O15596.534141400
144321

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O15/c28-8-18-20(32)22(34)24(36)26(41-18)38-11-2-3-12-14(31)7-15(39-16(12)6-11)10-1-4-13(30)17(5-10)40-27-25(37)23(35)21(33)19(9-29)42-27/h1-6,15,18-30,32-37H,7-9H2/t15-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1
C27H32O15596.534131400
29415768

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H32O15/c1-37-17-4-11(2-3-13(17)30)16-7-15(32)20-14(31)5-12(6-18(20)40-16)39-25-23(22(34)21(33)19(8-28)41-25)42-26-24(35)27(36,9-29)10-38-26/h2-6,16,19,21-26,28-31,33-36H,7-10H2,1H3/t16-,19+,21+,22-,23+,24-,25+,26-,27+/m0/s1
C27H32O15596.534111200
21336749

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H30O14.H2O/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11;/h2-8,10,18,20-30,32-36H,9H2,1H3;1H2/t10-,18-,20-,21-,22+,23+,24+,25-,26-,27-;/m0./s1
C27H32O15596.53410400
4444668

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H32O15/c28-9-18-20(33)22(35)24(37)26(41-18)39-12-3-4-13(16(32)8-12)14(30)5-1-11-2-6-15(31)17(7-11)40-27-25(38)23(36)21(34)19(10-29)42-27/h1-8,18-29,31-38H,9-10H2/b5-1+/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
C27H32O15596.533988900
405317

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H32O15/c1-13(17(39-15(3)28)14(2)12-16-8-6-5-7-9-16)10-11-25-18(29)19(40-24(36)38-4)27(42-25,23(34)35)26(37,22(32)33)20(41-25)21(30)31/h5-9,14,17-20,29,37H,1,10-12H2,2-4H3,(H,30,31)(H,32,33)(H,34,35)/t14-,17-,18-,19-,20-,25+,26-,27+/m1/s1
C27H32O15596.5346600
17216350

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O15/c28-13-2-1-9(5-14(13)29)10-3-11-4-12(7-16(31)18(11)15(30)6-10)40-27-24(37)20(33)19(32)17(41-27)8-39-26-23(36)21(34)22(35)25(38)42-26/h1-2,4-5,7,10,17,19-29,31-38H,3,6,8H2/t10-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27+/m0/s1
C27H32O15596.53465304
77484157

Double-bond stereo

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C27H32O15/c1-13(2)10-27(26(36)37)11-20(31)39-16(24(34)35)9-19(30)38-12-17-21(32)22(33)23(25(40-17)42-27)41-18(29)8-5-14-3-6-15(28)7-4-14/h3-8,13,16-17,21-23,25,28,32-33H,9-12H2,1-2H3,(H,34,35)(H,36,37)/b8-5+
C27H32O15596.5346400
115037241

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-9-18-21(33)23(35)25(37)27(42-18)39-12-5-13(30)19-14(31)7-15(40-16(19)6-12)10-1-3-11(29)4-2-10/h1-6,15,17-18,20-30,32-37H,7-9H2/t15-,17+,18+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1
C27H32O15596.5345500
21615456

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-12-5-15-19(13(31)7-14(39-15)10-1-3-11(30)4-2-10)16(6-12)40-27-25(37)23(35)21(33)18(9-29)42-27/h1-6,14,17-18,20-30,32-37H,7-9H2/t14-,17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
C27H32O15596.5345300
405320

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H32O15/c1-13(17(39-15(3)28)14(2)12-16-8-6-5-7-9-16)10-11-25-19(40-24(36)38-4)18(29)27(42-25,23(34)35)26(37,22(32)33)20(41-25)21(30)31/h5-9,14,17-20,29,37H,1,10-12H2,2-4H3,(H,30,31)(H,32,33)(H,34,35)/t14-,17-,18-,19-,20-,25+,26-,27+/m1/s1
C27H32O15596.5345500
169359

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H32O15/c1-37-17-4-11(2-3-13(17)30)16-7-15(32)20-14(31)5-12(6-18(20)40-16)39-25-23(22(34)21(33)19(8-28)41-25)42-26-24(35)27(36,9-29)10-38-26/h2-6,16,19,21-26,28-31,33-36H,7-10H2,1H3
C27H32O15596.5345500
29814456

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H32O15/c1-10-18(30)20(32)22(34)25(39-10)38-9-16-19(31)21(33)23(35)26(41-16)40-14-6-13(29)7-15-17(14)24(36)27(37,42-15)8-11-2-4-12(28)5-3-11/h2-7,10,16,18-23,25-26,28-35,37H,8-9H2,1H3/t10-,16+,18-,19+,20+,21-,22+,23+,25+,26+,27?/m0/s1
C27H32O15596.5344200
82964980

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H32O15/c1-9-3-12(29)18-13(30)5-10-4-11(37-2)6-14(17(10)25(18)39-9)40-27-24(36)22(34)20(32)16(42-27)8-38-26-23(35)21(33)19(31)15(7-28)41-26/h3-6,15-16,19-24,26-28,30-36H,7-8H2,1-2H3/t15-,16-,19-,20-,21+,22+,23-,24-,26-,27-/m0/s1
C27H32O15596.5344300
12345

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