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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
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Found 113 results

Search term: C27H32O14 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
390868

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O14/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/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
C27H32O14580.53469213700
390871

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
C27H32O14580.5346691086013
23435

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H32O14/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/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16?,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
C27H32O14580.5346333858276
2272184

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O14/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/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16+,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
C27H32O14580.534579999999282100
419383

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16?,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
C27H32O14580.5346181500
391075

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
C27H32O14580.5346141600
4288

0 of 11 defined stereocentres - 0/11 defined
InChI=1/C27H32O14/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/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3
C27H32O14580.53461128700
5142779

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O14/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/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27-/m0/s1
C27H32O14580.5346111100
65061219

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O14/c28-9-18-20(31)22(33)24(35)26(40-18)37-12-3-1-11(2-4-12)16-8-15(30)14-6-5-13(7-17(14)39-16)38-27-25(36)23(34)21(32)19(10-29)41-27/h1-7,16,18-29,31-36H,8-10H2/t16-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1
C27H32O14580.534611900
30791743

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
C27H32O14580.534681000
30791938

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H32O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-9,11,18,20-29,31-37H,10H2,1H3/b7-4+/t11-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1
C27H32O14580.53468700
149422

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16?,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
C27H32O14580.53468700
2339327

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H32O14/c1-10-4-13(29)19-15(39-10)5-12-11(2)14(36-3)6-16(18(12)21(19)31)40-25-23(33)22(32)20(30)17(41-25)7-37-26-24(34)27(35,8-28)9-38-26/h4-6,17,20,22-26,28,30-35H,7-9H2,1-3H3/t17-,20-,22+,23-,24+,25-,26-,27-/m1/s1
C27H32O14580.5345799999996500
23089597

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C27H32O14/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/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16?,18-,20-,21-,22+,23+,24+,25-,26-,27-/m0/s1
C27H32O14580.53466357871
4447695

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O14/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/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16+,18-,20+,21-,22+,23+,24-,25-,26-,27-/m1/s1
C27H32O14580.5345799999995457871
84487455

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H32O14/c1-12-19(30)21(32)23(34)26(38-12)39-15-6-3-14(4-7-15)5-8-18(29)37-11-17-20(31)22(33)24(35)27(40-17)41-25-13(2)36-10-9-16(25)28/h3-10,12,17,19-24,26-27,30-35H,11H2,1-2H3/b8-5+/t12-,17+,19-,20+,21+,22-,23+,24+,26-,27-/m0/s1
C27H32O14580.53465300
405303

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H32O14/c1-13(18(38-15(3)28)14(2)12-17-8-6-5-7-9-17)10-11-25-19(30)20(39-16(4)29)27(41-25,24(35)36)26(37,23(33)34)21(40-25)22(31)32/h5-9,14,18-21,30,37H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)(H,35,36)/t14-,18-,19-,20-,21-,25+,26-,27+/m1/s1
C27H32O14580.53465500
405312

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H32O14/c1-13(18(38-15(3)28)14(2)12-17-8-6-5-7-9-17)10-11-25-20(39-16(4)29)19(30)27(41-25,24(35)36)26(37,23(33)34)21(40-25)22(31)32/h5-9,14,18-21,30,37H,1,10-12H2,2-4H3,(H,31,32)(H,33,34)(H,35,36)/t14-,18-,19-,20-,21-,25+,26-,27+/m1/s1
C27H32O14580.53465500
32698170

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
C27H32O14580.53464500
22913190

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C27H32O14/c1-9-19(31)22(34)25(37)27(39-9)38-8-16-20(32)23(35)24(36)26(41-16)18-13(30)7-15-17(21(18)33)12(29)6-14(40-15)10-2-4-11(28)5-3-10/h2-5,7,9,14,16,19-20,22-28,30-37H,6,8H2,1H3/t9-,14-,16+,19-,20+,22+,23-,24+,25+,26-,27+/m0/s1
C27H32O14580.53464100
12345

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