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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 196 results

Search term: C12H17N5O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83878

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)/t5-,7-,8-,11-/m1/s1
C12H17N5O5311.2939767501
86768

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)/t6-,8-,9-,12-/m1/s1
C12H17N5O5311.2939644921
25052128

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c1-12(20)7(19)5(3-18)22-10(12)17-4-14-6-8(17)15-11(13)16-9(6)21-2/h4-5,7,10,18-20H,3H2,1-2H3,(H2,13,15,16)/t5-,7-,10-,12-/m1/s1
C12H17N5O5311.2939302100
140233

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H17N5O5/c13-12-15-10-9(11(16-12)21-2-1-18)14-5-17(10)8-3-6(20)7(4-19)22-8/h5-8,18-20H,1-4H2,(H2,13,15,16)/t6-,7+,8+/m0/s1
C12H17N5O5311.2939201800
2254657
InChI=1/C12H17N5O5/c1-2-22-12(19)15-5-3-14(4-6-15)11(18)9-16-8-10(7-13-16)17(20)21/h7-8H,2-6,9H2,1H3
C12H17N5O5311.29388191400
8015427

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H17N5O5/c1-2-8(19)21-4-7(3-18)22-6-17-5-14-9-10(17)15-12(13)16-11(9)20/h5,7,18H,2-4,6H2,1H3,(H3,13,15,16,20)
C12H17N5O5311.2939182200
1638157
InChI=1/C12H17N5O5/c1-7-10(16-21-14-7)19-5-12(4,13-9(3)18)6-20-11-8(2)15-22-17-11/h5-6H2,1-4H3,(H,13,18)
C12H17N5O5311.2939151100
157996

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c1-2-21-10-6-9(15-12(13)16-10)17(4-14-6)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,2-3H2,1H3,(H2,13,15,16)/t5-,7-,8-,11-/m1/s1
C12H17N5O5311.2939131800
213306

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H17N5O5/c18-2-1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(21)8(20)6(3-19)22-12/h4-6,8-9,12,18-21H,1-3H2,(H,13,14,15)
C12H17N5O5311.293912800
21370119
InChI=1/C12H17N5O5/c18-9-8(7-14-12(21)16-9)15-11(20)10(19)13-1-2-17-3-5-22-6-4-17/h7H,1-6H2,(H,13,19)(H,15,20)(H2,14,16,18,21)
C12H17N5O5311.2939111000
22935181

Double-bond stereo
InChI=1/C12H17N5O5/c1-4-22-9(19)5-8(18)15-14-6-7-10(13)16(2)12(21)17(3)11(7)20/h6H,4-5,13H2,1-3H3,(H,15,18)/b14-6+
C12H17N5O5311.293910700
28943322
InChI=1/C12H16N4O2.HNO3/c1-17-9-5-3-8(7-10(9)18-2)4-6-11-14-12(13)16-15-11;2-1(3)4/h3,5,7H,4,6H2,1-2H3,(H3,13,14,15,16);(H,2,3,4)
C12H17N5O5311.293910600
57561548

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c1-2-13-12-15-9-6(10(21)16-12)14-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,2-3H2,1H3,(H2,13,15,16,21)/t5-,7-,8-,11-/m1/s1
C12H17N5O5311.29399600
17474962
InChI=1/C8H8N4O4.C4H9NO/c1-11-6-5(7(15)10-8(11)16)12(3-9-6)2-4(13)14;1-3-6-4-2-5-1/h3H,2H2,1H3,(H,13,14)(H,10,15,16);5H,1-4H2
C12H17N5O5311.29399600
1565587
InChI=1/C12H17N5O5/c1-21-12(20)9-2-4-16(5-3-9)10(18)7-22-11(19)6-17-8-13-14-15-17/h8-9H,2-7H2,1H3
C12H17N5O5311.29399500
166520

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c13-1-4-2-17(9-6(4)10(21)16-12(14)15-9)11-8(20)7(19)5(3-18)22-11/h2,5,7-8,11,18-20H,1,3,13H2,(H3,14,15,16,21)/t5-,7-,8-,11-/m1/s1
C12H17N5O5311.29399800
167808

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C12H17N5O5/c1-7(18)14-4-10(19)17-9(2-8-3-13-6-16-8)12(22)15-5-11(20)21/h3,6,8-9H,2,4-5H2,1H3,(H,14,18)(H,15,22)(H,17,19)(H,20,21)/t8?,9-/m0/s1
C12H17N5O5311.293981100
101936048

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C12H17N5O5/c1-4-14-6-9(15-12(13)16-10(6)20)17(4)11-8(21-2)7(19)5(3-18)22-11/h5,7-8,11,18-19H,3H2,1-2H3,(H3,13,15,16,20)/t5-,7-,8-,11-/m1/s1
C12H17N5O5311.293981100
30433652
InChI=1/C12H17N5O5/c1-2-14-12(19)15-6-3-7-22-11(18)8-4-5-9(17(20)21)10(13)16-8/h4-5H,2-3,6-7H2,1H3,(H2,13,16)(H2,14,15,19)
C12H17N5O5311.29397600
523014

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)
C12H17N5O5311.293973600
12345

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