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 141 results

Search term: C27H47NO (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3875041

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(29)28-24-25(2)26-21-18-17-19-22-26/h17-19,21-22,25H,3-16,20,23-24H2,1-2H3,(H,28,29)
C27H47NO401.6682201400
117389

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H47NO/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(25)28/h16-18,20-25,29H,6-15,28H2,1-5H3/t18-,20+,21-,22+,23+,24?,25+,26+,27-/m1/s1
C27H47NO401.6682131200
112276

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H47NO/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,29H,5-7,9-17,28H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
C27H47NO401.66827600
310218

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H47NO/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-25(29)28-16-15-26(20,4)24(21)13-14-27(22,23)5/h18-24H,6-17H2,1-5H3,(H,28,29)
C27H47NO401.66827700
4446548

Double-bond stereo
InChI=1/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21-
C27H47NO401.6681800000017700
2573200
InChI=1/C27H47NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-26(29)24-19-21-25(22-20-24)27(2,3)4/h19-22H,5-18,23H2,1-4H3,(H,28,29)
C27H47NO401.66827400
7837391

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H47NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25,29H,6-17H2,1-5H3/b28-21+/t19-,20+,22+,23-,24+,25+,26+,27-/m1/s1
C27H47NO401.66827500
2561641

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C27H47NO/c1-22(2)23(3,4)25(7,8)28(26(9,10)24(22,5)6)21(29)17-27-14-18-11-19(15-27)13-20(12-18)16-27/h18-20H,11-17H2,1-10H3
C27H47NO401.66826300
3833686

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H47NO/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(25)28/h16-18,20-25,29H,6-15,28H2,1-5H3
C27H47NO401.66825300
28686824
InChI=1/C27H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28(2)24-26-19-21-27(25-29)22-20-26/h19-22,25H,3-18,23-24H2,1-2H3
C27H47NO401.66825400
8222198
InChI=1/C27H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-27(29)26-24(2)21-20-22-25(26)3/h20-22H,4-19,23H2,1-3H3,(H,28,29)
C27H47NO401.66824300
149442

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C27H47NO/c1-17(2)6-11-25(28)18(3)22-9-10-23-21-8-7-19-16-20(29)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,29H,6,8-16,28H2,1-5H3/t18-,20-,21-,22?,23-,24-,25?,26-,27+/m0/s1
C27H47NO401.66824400
464271
InChI=1/C27H47NO/c1-3-5-7-9-11-13-18-24-28(25-19-14-12-10-8-6-4-2)27(29)23-22-26-20-16-15-17-21-26/h15-17,20-21H,3-14,18-19,22-25H2,1-2H3
C27H47NO401.66824500
464585
InChI=1/C27H47NO/c1-4-7-9-11-13-15-17-23-28(24-18-16-14-12-10-8-5-2)27(29)26-21-19-25(6-3)20-22-26/h19-22H,4-18,23-24H2,1-3H3
C27H47NO401.66824500
464602

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H47NO/c1-6-11-14-23(9-4)21-28(22-24(10-5)15-12-7-2)27(29)26-19-17-25(18-20-26)16-13-8-3/h17-20,23-24H,6-16,21-22H2,1-5H3
C27H47NO401.66824500
464605
InChI=1/C27H47NO/c1-4-7-10-12-14-16-23-28(24-17-15-13-11-8-5-2)27(29)26-21-19-25(20-22-26)18-9-6-3/h19-22H,4-18,23-24H2,1-3H3
C27H47NO401.66824500
9328980
InChI=1/C27H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(29)28-24-23-26-21-19-25(2)20-22-26/h19-22H,3-18,23-24H2,1-2H3,(H,28,29)
C27H47NO401.66823200
9421661

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H47NO/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(29)15-19(26)16-24(25)28/h16-18,20-25,29H,6-15,28H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
C27H47NO401.66823100
4825560

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H47NO/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28-29)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25,29H,6-17H2,1-5H3/b28-21+
C27H47NO401.668231000
28699490
InChI=1/C27H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)28-2/h3-14,19-26H2,1-2H3,(H,28,29)
C27H47NO401.66823200
12345

Advertisement