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 1679 results

Search term: C27H27N5O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9082301
InChI=1/C27H27N5O4/c1-34-24-16-22-23(17-25(24)35-2)28-18-29-26(22)31-12-14-32(15-13-31)27(33)30-19-8-10-21(11-9-19)36-20-6-4-3-5-7-20/h3-11,16-18H,12-15H2,1-2H3,(H,30,33)
C27H27N5O4485.5344282300
580477

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H27N5O4/c1-17-9-11-18(12-10-17)16-32-25(35)27(24(34)29-26(32)36)15-19-22(30-13-5-2-3-7-20(27)30)28-21-8-4-6-14-31(21)23(19)33/h4,6,8-12,14,20H,2-3,5,7,13,15-16H2,1H3,(H,29,34,36)
C27H27N5O4485.5344201500
7874390

Double-bond stereo
InChI=1/C27H27N5O4/c1-18-10-13-30(14-11-18)21-8-6-19(15-22(21)32(34)35)17-28-27-26(29-25-5-3-4-12-31(25)27)20-7-9-23(33)24(16-20)36-2/h3-9,12,15-18,33H,10-11,13-14H2,1-2H3/b28-17+
C27H27N5O4485.5344191700
579381

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H27N5O4/c1-3-4-12-32-25(35)27(24(34)29-26(32)36)15-19-22(28-21-16(2)8-7-13-31(21)23(19)33)30-14-11-17-9-5-6-10-18(17)20(27)30/h5-10,13,20H,3-4,11-12,14-15H2,1-2H3,(H,29,34,36)
C27H27N5O4485.5344181300
2939311
InChI=1/C27H27N5O4/c1-3-22-30-25-23(27(33)31(22)12-7-13-34-4-2)24-26(29-19-9-6-5-8-18(19)28-24)32(25)15-17-10-11-20-21(14-17)36-16-35-20/h5-6,8-11,14H,3-4,7,12-13,15-16H2,1-2H3
C27H27N5O4485.53438181000
3173377

Double-bond stereo
InChI=1/C27H27N5O4/c1-4-35-22-11-6-5-10-20(22)26(33)30-24-19(17-28)16-21-25(32(24)14-9-15-36-18(2)3)29-23-12-7-8-13-31(23)27(21)34/h5-8,10-13,16,18H,4,9,14-15H2,1-3H3/b30-24+
C27H27N5O4485.5344181600
580578

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H27N5O4/c1-29-24(34)27(25(35)30(2)26(29)36)16-19-22(28-21-10-6-7-12-32(21)23(19)33)31-13-11-18(15-20(27)31)14-17-8-4-3-5-9-17/h3-10,12,18,20H,11,13-16H2,1-2H3
C27H27N5O4485.5344171100
1243377
InChI=1/C27H27N5O4/c1-5-20-22(18-10-8-7-9-11-18)31(19-14-12-17(13-15-19)16-21(33)36-6-2)26-28-24-23(32(20)26)25(34)30(4)27(35)29(24)3/h7-15H,5-6,16H2,1-4H3
C27H27N5O4485.5344171300
1527558

Double-bond stereo
InChI=1/C27H27N5O4/c1-4-35-15-9-14-31-24(30-26(33)20-11-6-7-12-22(20)36-5-2)19(17-28)16-21-25(31)29-23-18(3)10-8-13-32(23)27(21)34/h6-8,10-13,16H,4-5,9,14-15H2,1-3H3/b30-24+
C27H27N5O4485.534417700
1530308

Double-bond stereo
InChI=1/C27H27N5O4/c1-4-35-15-7-14-31-24(30-26(33)19-9-11-21(12-10-19)36-5-2)20(17-28)16-22-25(31)29-23-18(3)8-6-13-32(23)27(22)34/h6,8-13,16H,4-5,7,14-15H2,1-3H3/b30-24+
C27H27N5O4485.534417600
2669903
InChI=1/C27H27N5O4/c1-19-6-8-20(9-7-19)26-22-4-2-3-5-23(22)27(34)31(28-26)25-18-21(10-11-24(25)32(35)36)30-14-12-29(13-15-30)16-17-33/h2-11,18,33H,12-17H2,1H3
C27H27N5O4485.53438171000
1560239
InChI=1/C27H27N5O4/c1-27(2,3)21-15-23(32(30-21)18-8-5-4-6-9-18)29-24(33)16-36-26(35)17-11-12-19-20(14-17)28-22-10-7-13-31(22)25(19)34/h4-6,8-9,11-12,14-15H,7,10,13,16H2,1-3H3,(H,29,33)
C27H27N5O4485.5344161100
1517678

Double-bond stereo
InChI=1/C27H27N5O4/c1-5-6-7-10-31-24(30-26(33)18-12-20(35-3)15-21(13-18)36-4)19(16-28)14-22-25(31)29-23-17(2)9-8-11-32(23)27(22)34/h8-9,11-15H,5-7,10H2,1-4H3/b30-24+
C27H27N5O4485.534416700
4070342

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H27N5O4/c33-23-19-17-27(24(34)29-26(36)32(25(27)35)16-13-18-9-3-1-4-10-18)20-11-5-2-7-14-30(20)22(19)28-21-12-6-8-15-31(21)23/h1,3-4,6,8-10,12,15,20H,2,5,7,11,13-14,16-17H2,(H,29,34,36)
C27H27N5O4485.53438161200
4074214

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H27N5O4/c1-17-9-8-14-31-21(17)28-22-19(23(31)33)15-27(20-12-6-3-7-13-30(20)22)24(34)29-26(36)32(25(27)35)16-18-10-4-2-5-11-18/h2,4-5,8-11,14,20H,3,6-7,12-13,15-16H2,1H3,(H,29,34,36)
C27H27N5O4485.53438161200
4087688

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H27N5O4/c1-15(2)14-32-25(35)27(24(34)29-26(32)36)13-19-22(28-21-16(3)7-6-11-31(21)23(19)33)30-12-10-17-8-4-5-9-18(17)20(27)30/h4-9,11,15,20H,10,12-14H2,1-3H3,(H,29,34,36)
C27H27N5O4485.53438161200
3046182

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H27N5O4/c1-34-21-10-9-17(14-22(21)35-2)11-12-32-25-23(24-26(32)30-20-8-4-3-7-19(20)29-24)27(33)31(16-28-25)15-18-6-5-13-36-18/h3-4,7-10,14,16,18H,5-6,11-13,15H2,1-2H3
C27H27N5O4485.53438151000
2935244

Double-bond stereo
InChI=1/C27H27N5O4/c1-5-6-7-12-31-24(30-26(33)18-10-11-21(35-3)22(15-18)36-4)19(16-28)14-20-25(31)29-23-17(2)9-8-13-32(23)27(20)34/h8-11,13-15H,5-7,12H2,1-4H3/b30-24+
C27H27N5O4485.5343815800
11101797
InChI=1/C27H27N5O4/c1-16-11-12-21(17(2)13-16)31-18(3)19(4)32-23-24(28-26(31)32)29(5)27(35)30(25(23)34)14-22(33)36-15-20-9-7-6-8-10-20/h6-13H,14-15H2,1-5H3
C27H27N5O4485.534415900
11103466

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H27N5O4/c1-17-18(2)32-23-24(28-26(32)31(17)19(3)21-13-9-6-10-14-21)29(4)27(35)30(25(23)34)15-22(33)36-16-20-11-7-5-8-12-20/h5-14,19H,15-16H2,1-4H3
C27H27N5O4485.5344151100
12345

Advertisement