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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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Found 145 results

Search term: C29H30N4O8 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16738394

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)/t16-,17-,18-,19-,22-/m0/s1
C29H30N4O8562.570515163422
7869874

Double-bond stereo
InChI=1/C29H30N4O8/c1-39-25-16-11-22(18-26(25)40-2)28(35)30-17-5-3-4-6-27(34)32-31-19-20-7-14-24(15-8-20)41-29(36)21-9-12-23(13-10-21)33(37)38/h7-16,18-19H,3-6,17H2,1-2H3,(H,30,35)(H,32,34)/b31-19+
C29H30N4O8562.570512900
10916520

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H30N4O8/c1-5-40-29(36)20-15-19-25(30-23-10-6-7-11-32(23)28(19)35)33(16-18-9-8-12-41-18)26(20)31-27(34)17-13-21(37-2)24(39-4)22(14-17)38-3/h6-7,10-11,13-15,18H,5,8-9,12,16H2,1-4H3/b31-26-
C29H30N4O8562.570512600
21543282
InChI=1/C29H30N4O8/c1-37-23-10-8-19(16-25(23)39-3)12-14-32(29(34)21-6-5-7-22(17-21)33(35)36)15-13-27-30-28(31-41-27)20-9-11-24(38-2)26(18-20)40-4/h5-11,16-18H,12-15H2,1-4H3
C29H30N4O8562.57058700
406562

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)
C29H30N4O8562.57058500
90890

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)/t16?,17-,18-,19-,22?/m0/s1
C29H30N4O8562.57057900
31050021

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H28N4O4.C2H2O4/c1-34-20-11-7-18(8-12-20)15-24(19-9-13-21(35-2)14-10-19)29-16-26-30-23-6-4-3-5-22(23)27(33)31(26)17-25(28)32;3-1(4)2(5)6/h3-14,24,29H,15-17H2,1-2H3,(H2,28,32);(H,3,4)(H,5,6)
C29H30N4O8562.57057600
57261413

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)/t16-,17+,18+,19+,22-/m1/s1
C29H30N4O8562.57057600
35372032

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H30N4O8/c1-5-40-29(36)20-15-19-25(30-23-10-6-7-11-32(23)28(19)35)33(16-18-9-8-12-41-18)26(20)31-27(34)17-13-21(37-2)24(39-4)22(14-17)38-3/h6-7,10-11,13-15,18H,5,8-9,12,16H2,1-4H3
C29H30N4O8562.57056700
23199012

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C29H30N4O8/c1-18(35)30-25(14-20-7-10-23(36)11-8-20)28(40)32-24-12-9-22(13-19-5-3-2-4-6-19)33(29(24)41)16-26(37)31-21(17-34)15-27(38)39/h2-12,17,21,25,36H,13-16H2,1H3,(H,30,35)(H,31,37)(H,32,40)(H,38,39)/t21-,25-/m0/s1
C29H30N4O8562.57054300
8432759

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C29H30N4O8/c1-19(14-23(28(37)39-3)18-40-20(2)34)31-25(35)16-33-26(22-12-8-5-9-13-22)30-15-24(27(33)36)32-29(38)41-17-21-10-6-4-7-11-21/h4-15,19H,16-18H2,1-3H3,(H,31,35)(H,32,38)/b23-14+/t19-/m0/s1
C29H30N4O8562.57054300
9664696

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C27H26N4O6.C2H4O2/c1-31-21-12-11-19(25(34)30-20(14-23(32)33)17-5-3-2-4-6-17)13-22(21)37-27(26(31)35)36-15-16-7-9-18(10-8-16)24(28)29;1-2(3)4/h2-13,20,27H,14-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33);1H3,(H,3,4)/t20-,27?;/m0./s1
C29H30N4O8562.57053300
115281522

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C29H30N4O8/c1-38-24-8-5-18-11-25(24)40-16-27(35)31-13-17-3-6-19(7-4-17)41-23-9-10-33(15-21(23)32-28(18)36)29(37)20-12-22(34)26(39-2)14-30-20/h3-8,11-12,14,21,23H,9-10,13,15-16H2,1-2H3,(H,30,34)(H,31,35)(H,32,36)/t21-,23+/m0/s1
C29H30N4O8562.57053300
375214
InChI=1/C29H30N4O8/c1-6-7-12-41-26-14(9-11-17(38-3)27(26)39-4)18-13(2)21(29(36)37)33-23(19(18)30)16-10-8-15-22(32-16)25(35)20(31)28(40-5)24(15)34/h8-11H,6-7,12,30-31H2,1-5H3,(H,36,37)
C29H30N4O8562.57053200
4364967

Double-bond stereo
InChI=1/C29H30N4O8/c1-39-25-16-11-22(18-26(25)40-2)28(35)30-17-5-3-4-6-27(34)32-31-19-20-7-14-24(15-8-20)41-29(36)21-9-12-23(13-10-21)33(37)38/h7-16,18-19H,3-6,17H2,1-2H3,(H,30,35)(H,32,34)
C29H30N4O8562.5704999999993200
5202812

Double-bond stereo
InChI=1/C29H30N4O8/c1-6-7-12-41-29(37)21-13(2)18(14-9-11-17(38-3)27(39-4)24(14)34)19(30)23(33-21)16-10-8-15-22(32-16)26(36)20(31)28(40-5)25(15)35/h8-11,33H,6-7,12,30-31H2,1-5H3
C29H30N4O8562.57053200
2518583

Double-bond stereo
InChI=1/C29H30N4O8/c1-4-40-29(37)20-9-11-21(12-10-20)31-28(36)18-41-24-13-8-19(14-25(24)39-3)17-30-33-27(35)16-26(34)32-22-6-5-7-23(15-22)38-2/h5-15,17H,4,16,18H2,1-3H3,(H,31,36)(H,32,34)(H,33,35)
C29H30N4O8562.57052100
2756521

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H30N4O8/c1-36-20-11-16(12-21(37-2)25(20)40-5)30-28(35)29(27-31-18-9-7-8-10-19(18)32-27)15-24(34)33(29)17-13-22(38-3)26(41-6)23(14-17)39-4/h7-14H,15H2,1-6H3,(H,30,35)(H,31,32)
C29H30N4O8562.5704999999992100
3467873

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C29H30N4O8/c1-4-38-25-13-20(7-11-23(25)39-16-19-5-9-22(10-6-19)33(36)37)15-30-32-29(35)27(18(2)3)31-28(34)21-8-12-24-26(14-21)41-17-40-24/h5-15,18,27H,4,16-17H2,1-3H3,(H,31,34)(H,32,35)
C29H30N4O8562.5704999999992100
3483204

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C29H30N4O8/c1-39-29(36)22-8-6-21(7-9-22)23-14-25(41-27(15-23)40-18-20-4-2-19(17-34)3-5-20)28(35)31-13-12-30-26-11-10-24(16-32-26)33(37)38/h2-11,14,16,23,27,34H,12-13,15,17-18H2,1H3,(H,30,32)(H,31,35)
C29H30N4O8562.5704999999992100
12345

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