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
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Found 165 results

Search term: C27H45NO4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2353287

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32-4-2)22-23-18-20-24(29)21-19-23/h18-21,25,29H,3-17,22H2,1-2H3,(H,28,30)
C27H45NO4447.65050000000114900
4099104

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C27H45NO4/c1-26(2,3)22-7-9-23(10-8-22)32-25(30)6-4-5-24(29)28-11-12-31-27-16-19-13-20(17-27)15-21(14-19)18-27/h19-23H,4-18H2,1-3H3,(H,28,29)
C27H45NO4447.650500000001141000
17461479

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(29)28-25(27(31)32)26(30)23-20-17-16-18-21-23/h16-18,20-21,25-26,30H,2-15,19,22H2,1H3,(H,28,29)(H,31,32)/t25-,26+/m1/s1
C27H45NO4447.650513900
3833146
InChI=1/C27H45NO4/c1-3-5-7-9-11-13-15-17-22-31-26(29)24-20-19-21-25(28-24)27(30)32-23-18-16-14-12-10-8-6-4-2/h19-21H,3-18,22-23H2,1-2H3
C27H45NO4447.6505131000
17461583

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C27H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-24(29)32-26(23-20-17-16-18-21-23)25(28)27(30)31-4-2/h16-18,20-21,25-26H,3-15,19,22,28H2,1-2H3/t25-,26+/m1/s1
C27H45NO4447.650511700
5142268

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h18-21,25,29H,2-17,22H2,1H3,(H,28,30)(H,31,32)/t25-/m0/s1
C27H45NO4447.65059800
2284895

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)28-25(27(31)32)22-23-18-20-24(29)21-19-23/h18-21,25,29H,2-17,22H2,1H3,(H,28,30)(H,31,32)
C27H45NO4447.65050000000191030
2341099

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C27H45NO4/c1-17(32-19(3)30)23-9-10-25-22-8-7-20-15-21(28(5)6)11-13-26(20,4)24(22)12-14-27(23,25)16-31-18(2)29/h17,20-25H,7-16H2,1-6H3/t17?,20-,21-,22+,23+,24-,25-,26-,27-/m0/s1
C27H45NO4447.6505000000018500
2369636

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-24(29)32-26(23-20-17-16-18-21-23)25(28)27(30)31-4-2/h16-18,20-21,25-26H,3-15,19,22,28H2,1-2H3
C27H45NO4447.6505000000016200
277097

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C27H45NO4/c1-14-5-8-27(28-13-14)15(2)23-21(32-27)11-18-22-19(30)10-16-9-17(29)6-7-25(16,3)24(22)20(31)12-26(18,23)4/h14-24,28-31H,5-13H2,1-4H3
C27H45NO4447.65055500
52085687

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H45NO4/c1-17(32-19(3)30)23-9-10-25-22-8-7-20-15-21(28(5)6)11-13-26(20,4)24(22)12-14-27(23,25)16-31-18(2)29/h17,20-25H,7-16H2,1-6H3/t17-,20-,21-,22+,23+,24-,25-,26-,27-/m0/s1
C27H45NO4447.65055600
28639192

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h9-10,12-13,15-16,18-19,25H,5-8,11,14,17,20-24H2,1-4H3/b10-9-,13-12-,16-15-,19-18-
C27H45NO4447.65054500
147437

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO4/c1-14-11-22(31)24(28-13-14)15(2)23-21(30)12-19-16-5-6-18-25(32)20(29)8-10-26(18,3)17(16)7-9-27(19,23)4/h14-24,28-31H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21-,22+,23+,24+,26-,27+/m1/s1
C27H45NO4447.65054400
2369634

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(29)28-25(27(31)32)26(30)23-20-17-16-18-21-23/h16-18,20-21,25-26,30H,2-15,19,22H2,1H3,(H,28,29)(H,31,32)
C27H45NO4447.6505000000014200
8179345
InChI=1/C27H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-20-31-26(29)28-27(30)32-25-23(21(2)3)18-17-19-24(25)22(4)5/h17-19,21-22H,6-16,20H2,1-5H3,(H,28,29,30)
C27H45NO4447.65054300
8679010

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H45NO4/c1-25(2)16-28(11-12-32-25)22-14-27(4)17(13-23(22)30)5-6-18-19-7-8-21(24(31)15-29)26(19,3)10-9-20(18)27/h17-23,29-30H,5-16H2,1-4H3/t17-,18-,19-,20-,21+,22-,23-,26-,27-/m0/s1
C27H45NO4447.65054300
23177350

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H45NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(28-26(29)20-21-27(30)31)23-32-22-24-17-14-13-15-18-24/h13-15,17-18,25H,2-12,16,19-23H2,1H3,(H,28,29)(H,30,31)
C27H45NO4447.65054400
28639062

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H45NO4/c1-15-24-22(32-27(15)23(31)10-16(14-29)13-28-27)12-21-19-5-4-17-11-18(30)6-8-25(17,2)20(19)7-9-26(21,24)3/h15-24,28-31H,4-14H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
C27H45NO4447.65053400
29409967

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C27H45NO4/c1-16(5-10-24(30)28-17(2)25(31)32)21-8-9-22-20-7-6-18-15-19(29)11-13-26(18,3)23(20)12-14-27(21,22)4/h16-23,29H,5-15H2,1-4H3,(H,28,30)(H,31,32)/t16-,17+,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1
C27H45NO4447.65053300
57521336
InChI=1/C27H45NO4/c1-7-8-9-10-11-12-13-22-14-16-23(17-15-22)18-19-27(20-30-26(5,6)31-21-27)28-24(29)32-25(2,3)4/h14-17H,7-13,18-21H2,1-6H3,(H,28,29)
C27H45NO4447.65053100
12345

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