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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
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Isotopically Labeled
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Found 177 results

Search term: C35H39N5O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4444911

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/b19-18-/t29-,30-,31-,32+/m0/s1
C35H39N5O4593.7152610900
22496579
InChI=1/C35H39N5O4/c41-32(36-28-10-4-5-11-28)24-39-31-13-7-6-12-30(31)34(43)40(35(39)44)23-26-14-16-27(17-15-26)33(42)37-29-18-20-38(21-19-29)22-25-8-2-1-3-9-25/h1-3,6-9,12-17,28-29H,4-5,10-11,18-24H2,(H,36,41)(H,37,42)
C35H39N5O4593.71538600
22677274

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H39N5O4/c1-26(28-13-8-5-9-14-28)40(34(41)23-27-11-6-4-7-12-27)25-35(42)39-20-10-19-38(21-22-39)33-18-17-31(36-37-33)30-16-15-29(43-2)24-32(30)44-3/h4-9,11-18,24,26H,10,19-23,25H2,1-3H3
C35H39N5O4593.71537600
22724368

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C35H39N5O4/c1-38-30-24-40(29(22-25-12-5-2-6-13-25)33(41)36-18-21-39-19-9-4-10-20-39)34(42)31(30)32(37-35(38)43)26-14-11-17-28(23-26)44-27-15-7-3-8-16-27/h2-3,5-8,11-17,23,29,32H,4,9-10,18-22,24H2,1H3,(H,36,41)(H,37,43)
C35H39N5O4593.71537600
8070488

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,32,38H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
C35H39N5O4593.71535300
423896

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H39N5O4/c1-2-20-39(35(41)44-26-28-13-15-33(16-14-28)40(42)43)32-18-22-37(23-19-32)21-17-31(29-9-5-3-6-10-29)24-38-25-34(36-27-38)30-11-7-4-8-12-30/h2-16,25,27,31-32H,1,17-24,26H2
C35H39N5O4593.71535500
68380988
InChI=1/C35H39N5O4/c36-19-22-44-29-14-11-26(12-15-29)13-16-31-30(32(41)42)25-38-34(39-31)40-20-17-35(18-21-40,23-27-7-3-1-4-8-27)33(43)37-24-28-9-5-2-6-10-28/h1-12,14-15,25H,13,16-24,36H2,(H,37,43)(H,41,42)
C35H39N5O4593.71534300
113558994
InChI=1/C35H39N5O4/c1-42-34-8-3-2-7-32(34)39-11-13-40(14-12-39)35(41)25-38-15-16-43-17-18-44-33-10-9-29(31-22-36-26-37-23-31)21-30(33)20-27-5-4-6-28(19-27)24-38/h2-10,19,21-23,26H,11-18,20,24-25H2,1H3
C35H39N5O4593.71533300
115275758

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H39N5O4/c1-42-29-9-6-25(7-10-29)8-13-33(41)40-16-14-27-20-31-11-12-32(27)34(40)28-4-2-5-30(21-28)43-18-3-15-39(17-19-44-31)24-26-22-37-35(36)38-23-26/h2,4-7,9-12,20-23,34H,3,8,13-19,24H2,1H3,(H2,36,37,38)
C35H39N5O4593.71533300
26337790

Double-bond stereo
InChI=1/C35H39N5O4/c1-21-18-25(20-37-32(21)36)31-30(23-8-6-5-7-9-23)27-16-13-24(19-28(27)40(31)4)33(43)39-35(2,3)34(44)38-26-14-10-22(11-15-26)12-17-29(41)42/h10-20,23H,5-9H2,1-4H3,(H2,36,37)(H,38,44)(H,39,43)(H,41,42)/b17-12+
C35H39N5O4593.71533300
26371184

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C35H39N5O4/c1-35-28(34(43)39-16-5-2-6-17-39)20-24(22-31(41)37-15-12-25-8-3-4-14-36-25)33(42)40(35)18-13-27-26-11-10-23(30-9-7-19-44-30)21-29(26)38-32(27)35/h3-4,7-11,14,19,21,24,28,38H,2,5-6,12-13,15-18,20,22H2,1H3,(H,37,41)/t24-,28-,35+/m1/s1
C35H39N5O4593.71533200
58828136

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C35H39N5O4/c1-20(2)31(35(44)40-29(15-21-9-5-4-6-10-21)33(42)39-14-8-13-27(39)34(40)43)37-32(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-28(25)38(3)19-23/h4-7,9-12,16,18,20,23,27-29,31,36H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28-,29+,31+/m1/s1
C35H39N5O4593.71533400
58970046
InChI=1/C35H39N5O4/c1-6-35(3,4)26-14-10-24(11-15-26)32(41)38-29-9-7-8-28(23(29)2)30-22-39(5)34(43)31(37-30)36-27-16-12-25(13-17-27)33(42)40-18-20-44-21-19-40/h7-17,22H,6,18-21H2,1-5H3,(H,36,37)(H,38,41)
C35H39N5O4593.71533300
2830090

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H39N5O4/c1-4-44-32-16-10-8-14-29(32)38-35(42)37-27-18-19-30(28(24-27)34(41)36-25(2)26-12-6-5-7-13-26)39-20-22-40(23-21-39)31-15-9-11-17-33(31)43-3/h5-19,24-25H,4,20-23H2,1-3H3,(H,36,41)(H2,37,38,42)
C35H39N5O4593.7152599999983100
3255471

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C35H39N5O4/c1-4-44-29-17-14-27(15-18-29)37-35(42)38-28-16-19-31(30(24-28)34(41)36-25(2)26-10-6-5-7-11-26)39-20-22-40(23-21-39)32-12-8-9-13-33(32)43-3/h5-19,24-25H,4,20-23H2,1-3H3,(H,36,41)(H2,37,38,42)
C35H39N5O4593.71533100
4349001
InChI=1/C35H39N5O4/c1-3-44-32-15-9-7-13-29(32)38-35(42)37-27-17-18-30(28(25-27)34(41)36-20-19-26-11-5-4-6-12-26)39-21-23-40(24-22-39)31-14-8-10-16-33(31)43-2/h4-18,25H,3,19-24H2,1-2H3,(H,36,41)(H2,37,38,42)
C35H39N5O4593.7152599999983100
10027048
InChI=1/C35H39N5O4/c1-23-28(7-6-8-29(23)38-33(42)25-9-13-26(14-10-25)35(2,3)4)30-21-39(5)34(43)32(37-30)36-27-15-11-24(12-16-27)31(41)22-40-17-19-44-20-18-40/h6-16,21H,17-20,22H2,1-5H3,(H,36,37)(H,38,42)
C35H39N5O4593.71532100
8027211

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C35H39N5O4/c1-38-32-30(34(43)39(2)35(38)44)40(31(37-32)27-15-7-4-8-16-27)21-23-17-19-26(20-18-23)29(25-13-9-10-14-25)33(42)36-28(22-41)24-11-5-3-6-12-24/h3-8,11-12,15-20,25,28-30,32,41H,9-10,13-14,21-22H2,1-2H3,(H,36,42)/t28-,29-,30?,32?/m0/s1
C35H39N5O4593.71532100
76824704

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C35H39N5O4/c1-3-44-29-16-14-25(15-17-29)19-32(39-33(41)30-9-5-4-7-24(30)2)35(43)40-31(20-28-8-6-18-37-22-28)34(42)38-23-27-12-10-26(21-36)11-13-27/h4-18,22,31-32H,3,19-21,23,36H2,1-2H3,(H,38,42)(H,39,41)(H,40,43)/t31-,32+/m0/s1
C35H39N5O4593.71532200
156304

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C35H39N5O4/c1-20(2)31(35(44)40-29(15-21-9-5-4-6-10-21)33(42)39-14-8-13-27(39)34(40)43)37-32(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-28(25)38(3)19-23/h4-7,9-12,16,18,20,23,27-29,31,36H,8,13-15,17,19H2,1-3H3,(H,37,41)
C35H39N5O4593.71532200
12345

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