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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
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
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Found 27 results

Search term: C17H26N8O5 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
148673

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14-/m0/s1
C17H26N8O5422.43892926028
388699

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9?,10-,13+,14-/m0/s1
C17H26N8O5422.438922582690
113922

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H26N8O5/c18-16(19)20-6-4-5-11(15(27)28)24-17(29)30-8-3-1-2-7-25-10-23-12-13(25)21-9-22-14(12)26/h9-11H,1-8H2,(H,24,29)(H,27,28)(H4,18,19,20)(H,21,22,26)/t11-/m0/s1
C17H26N8O5422.4389131300
253

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)
C17H26N8O5422.43891120700
15535

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10+,13-,14+/m0/s1
C17H26N8O5422.438911900
21615450

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10+,13-,14+/m1/s1
C17H26N8O5422.43898600
7978150

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H26N8O5/c18-16(19)20-6-4-5-11(15(27)28)24-17(29)30-8-3-1-2-7-25-10-23-12-13(25)21-9-22-14(12)26/h9-11H,1-8H2,(H,24,29)(H,27,28)(H4,18,19,20)(H,21,22,26)
C17H26N8O5422.43897400
8797492

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H26N8O5/c18-16(19)20-6-4-5-11(15(27)28)24-17(29)30-8-3-1-2-7-25-10-23-12-13(25)21-9-22-14(12)26/h9-11H,1-8H2,(H,24,29)(H,27,28)(H4,18,19,20)(H,21,22,26)/t11-/m1/s1
C17H26N8O5422.43894300
301846

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H20N6O3.C5H6N2O2/c13-11-10-12(15-7-14-11)18(8-16-10)6-9(21)5-17(1-3-19)2-4-20;1-3-2-4(5(8)9)7-6-3/h7-9,19-21H,1-6H2,(H2,13,14,15);2H,1H3,(H,6,7)(H,8,9)
C17H26N8O5422.438944300
11677225

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9?,10-,13-,14-/m0/s1
C17H26N8O5422.43892400
8246393

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H26N8O5/c18-11(15(27)28)5-4-6-20-16(19)24-17(29)30-8-3-1-2-7-25-10-23-12-13(25)21-9-22-14(12)26/h9-11H,1-8,18H2,(H,27,28)(H,21,22,26)(H3,19,20,24,29)
C17H26N8O5422.43892100
17600636

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9?,10-,13?,14-/m0/s1
C17H26N8O5422.43892200
103846873

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10+,13+,14-/m0/s1
C17H26N8O5422.43892200
59700815

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10+,13-,14-/m1/s1
C17H26N8O5422.43892100
95746063

Double-bond stereo
InChI=1/C17H26N8O5/c18-16(19)20-6-4-5-11(15(27)28)24-17(29)30-8-3-1-2-7-25-10-23-12-13(25)21-9-22-14(12)26/h9-10,15,27-28H,1-8H2,(H4,18,19,20)(H,21,22,26)/b24-11-
C17H26N8O5422.43891100
114813968

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14+/m0/s1
C17H26N8O5422.43891100
128924745

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H26N8O5/c1-24(9-21-20)6-4-10(18)8-13(26)22-11-2-3-14(30-15(11)16(27)28)25-7-5-12(19)23-17(25)29/h2-3,5,7,9-11,14-15H,4,6,8,18,20H2,1H3,(H,22,26)(H,27,28)(H2,19,23,29)/b21-9+/t10-,11-,14+,15+/m0/s1
C17H26N8O5422.43891100
129170735

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H26N8O5/c1-24(9-21-20)6-4-10(18)8-13(26)22-11-2-3-14(30-15(11)16(27)28)25-7-5-12(19)23-17(25)29/h2-3,5,7,9-11,14-15H,4,6,8,18,20H2,1H3,(H,22,26)(H,27,28)(H2,19,23,29)/b21-9+/t10-,11-,14+,15-/m0/s1
C17H26N8O5422.43891100
34556075

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10?,13+,14-/m0/s1
C17H26N8O5422.43891100
17339335

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13-,14+/m1/s1
C17H26N8O5422.43891100
12

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