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 312 results

Search term: C31H39N5O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
66155

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1
C31H39N5O5561.67194620300
8183574

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23+,24-,26-,30+,31-/m0/s1
C31H39N5O5561.6719161906
17466174

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H39N5O5/c1-20-9-11-23(12-10-20)34-29(39)26(17-22-18-32-25-8-6-5-7-24(22)25)35-28(38)21-13-15-36(16-14-21)27(37)19-33-30(40)41-31(2,3)4/h5-12,18,21,26,32H,13-17,19H2,1-4H3,(H,33,40)(H,34,39)(H,35,38)/t26-/m0/s1
C31H39N5O5561.671913900
2959

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)
C31H39N5O5561.6719121300
17131169

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C31H39N5O5/c1-20(33-30(38)31-16-22-11-23(17-31)13-24(12-22)18-31)29(37)34-32-19-26-6-5-25(28(26)35-7-9-41-10-8-35)14-21-3-2-4-27(15-21)36(39)40/h2-4,14-15,19-20,22-24H,5-13,16-18H2,1H3,(H,33,38)(H,34,37)/b25-14-,32-19+
C31H39N5O5561.67198600
22611708
InChI=1/C31H39N5O5/c1-39-27-13-12-25(20-28(27)40-2)36-21-26(23-8-4-3-5-9-23)32-31(36)33-29(37)22-35(30(38)24-10-6-7-11-24)15-14-34-16-18-41-19-17-34/h3-5,8-9,12-13,20-21,24H,6-7,10-11,14-19,22H2,1-2H3,(H,32,33,37)
C31H39N5O5561.67197600
22654587
InChI=1/C31H39N5O5/c1-22(2)13-14-36(31(38)23-7-6-8-24(19-23)39-3)21-30(37)35-17-15-34(16-18-35)29-12-11-27(32-33-29)26-10-9-25(40-4)20-28(26)41-5/h6-12,19-20,22H,13-18,21H2,1-5H3
C31H39N5O5561.67197600
22654697

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H39N5O5/c1-6-22(2)20-36(31(38)23-7-9-24(39-3)10-8-23)21-30(37)35-17-15-34(16-18-35)29-14-13-27(32-33-29)26-12-11-25(40-4)19-28(26)41-5/h7-14,19,22H,6,15-18,20-21H2,1-5H3
C31H39N5O5561.67197600
22654698

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H39N5O5/c1-6-22(2)20-36(31(38)23-8-7-9-24(18-23)39-3)21-30(37)35-16-14-34(15-17-35)29-13-12-27(32-33-29)26-11-10-25(40-4)19-28(26)41-5/h7-13,18-19,22H,6,14-17,20-21H2,1-5H3
C31H39N5O5561.67197600
22655039
InChI=1/C31H39N5O5/c1-22(2)14-15-36(31(38)23-6-8-24(39-3)9-7-23)21-30(37)35-18-16-34(17-19-35)29-13-12-27(32-33-29)26-11-10-25(40-4)20-28(26)41-5/h6-13,20,22H,14-19,21H2,1-5H3
C31H39N5O5561.67197600
22677505
InChI=1/C31H39N5O5/c1-22(2)20-36(31(38)24-8-6-9-25(18-24)39-3)21-30(37)35-15-7-14-34(16-17-35)29-13-11-26(32-33-29)23-10-12-27(40-4)28(19-23)41-5/h6,8-13,18-19,22H,7,14-17,20-21H2,1-5H3
C31H39N5O5561.67197600
22686112

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H39N5O5/c1-5-15-36-26(21-34-16-18-35(19-17-34)30(38)32-22(3)4)27(29(37)40-6-2)28(33-31(36)39)23-11-10-14-25(20-23)41-24-12-8-7-9-13-24/h5,7-14,20,22,28H,1,6,15-19,21H2,2-4H3,(H,32,38)(H,33,39)
C31H39N5O5561.67197600
22686536

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H39N5O5/c1-4-16-36-26(22-34-17-11-18-35(20-19-34)30(38)32-5-2)27(29(37)40-6-3)28(33-31(36)39)23-12-10-15-25(21-23)41-24-13-8-7-9-14-24/h4,7-10,12-15,21,28H,1,5-6,11,16-20,22H2,2-3H3,(H,32,38)(H,33,39)
C31H39N5O5561.67197600
22687356
InChI=1/C31H39N5O5/c37-29(22-9-12-27-28(19-22)41-21-40-27)32-24-10-11-26(25(20-24)30(38)35-13-5-2-6-14-35)34-15-17-36(18-16-34)31(39)33-23-7-3-1-4-8-23/h9-12,19-20,23H,1-8,13-18,21H2,(H,32,37)(H,33,39)
C31H39N5O5561.67197600
169041

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C31H39N5O5/c1-5-19(2)26(35-29(40)20(3)32)27(38)25(21-12-7-6-8-13-21)31(18-37,28(39)22-14-9-10-15-23(22)33)36(4)30(41)24-16-11-17-34-24/h5-10,12-15,18-20,24-26,34H,1,11,16-17,32-33H2,2-4H3,(H,35,40)/t19-,20+,24-,25?,26-,31-/m0/s1
C31H39N5O5561.67197600
4476071

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30?,31+/m1/s1
C31H39N5O5561.67196400
8590859

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H39N5O5/c1-19(2)25(27(37)28-32-22-14-9-10-15-23(22)35(28)5)33-29(38)24-16-11-17-36(24)30(39)26(20(3)4)34-31(40)41-18-21-12-7-6-8-13-21/h6-10,12-15,19-20,24-26H,11,16-18H2,1-5H3,(H,33,38)(H,34,40)/t24-,25-,26-/m0/s1
C31H39N5O5561.67195400
150090

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H39N5O5/c1-5-17(3)26-28(38)35-12-8-11-24(35)31(40)36(26)29(39)30(6-2,41-31)33-27(37)19-13-21-20-9-7-10-22-25(20)18(15-32-22)14-23(21)34(4)16-19/h7,9-10,13,15,17,19,23-24,26,32,40H,5-6,8,11-12,14,16H2,1-4H3,(H,33,37)/t17-,19+,23+,24-,26?,30+,31-/m0/s1
C31H39N5O5561.67195500
161425

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H39N5O5/c1-5-30(29(39)36-24(12-17(2)3)28(38)35-11-7-10-25(35)31(36,40)41-30)33-27(37)19-13-21-20-8-6-9-22-26(20)18(15-32-22)14-23(21)34(4)16-19/h6,8-9,13,15,17,19,23-25,32,40H,5,7,10-12,14,16H2,1-4H3,(H,33,37)/t19-,23+,24-,25+,30-,31+/m1/s1
C31H39N5O5561.67194400
149997

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26-,30-,31+/m1/s1
C31H39N5O5561.67194400
12345

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