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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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Single/Multi-component
Isotopically Labeled
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Found 34 results

Search term: C16H30O9 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
81369133
InChI=1/C16H30O9/c1-16(2,3)25-15(19)13-24-11-9-22-7-5-20-4-6-21-8-10-23-12-14(17)18/h4-13H2,1-3H3,(H,17,18)
C16H30O9366.404111200
238276
InChI=1/C16H30O9/c1-3-19-5-7-21-9-11-24-15(17)13-23-14-16(18)25-12-10-22-8-6-20-4-2/h3-14H2,1-2H3
C16H30O9366.4049600
4954159

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C10H18O4.C3H6O3.C3H6O2/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10;1-4-2-6-3-5-1;1-2-5-3-4-1/h9-10H,1-8H2;1-3H2;1-3H2
C16H30O9366.4045500
4955543
InChI=1/C6H10O4.C6H10O2.C4H10O3/c7-5(8)3-1-2-4-6(9)10;7-6-4-2-1-3-5-8-6;5-1-3-7-4-2-6/h1-4H2,(H,7,8)(H,9,10);1-5H2;5-6H,1-4H2
C16H30O9366.4044400
457860
InChI=1/C16H30O9/c1-15(17)24-13-11-22-9-7-20-5-3-19-4-6-21-8-10-23-12-14-25-16(2)18/h3-14H2,1-2H3
C16H30O9366.4044600
493880

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C16H30O9/c1-10(17)24-9-13(21-5)14(22-6)16(23-7)15(25-11(2)18)12(20-4)8-19-3/h12-16H,8-9H2,1-7H3
C16H30O9366.4043400
9648869

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C16H30O9/c1-12(17)7-13(23-9-20-2)5-6-14(24-10-21-3)15(8-16(18)19)25-11-22-4/h5-6,12-15,17H,7-11H2,1-4H3,(H,18,19)/b6-5+/t12-,13-,14+,15+/m1/s1
C16H30O9366.4043200
8889271

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C16H30O9/c1-8(4-5-11(19)16(2,3)23)9(6-17)24-15-14(22)13(21)12(20)10(7-18)25-15/h9-15,17-23H,1,4-7H2,2-3H3/t9-,10+,11?,12+,13-,14+,15+/m0/s1
C16H30O9366.4043200
9079890

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C16H30O9/c1-15(22)4-3-8(16(2,23)7-18)5-10(15)25-14-13(21)12(20)11(19)9(6-17)24-14/h8-14,17-23H,3-7H2,1-2H3/t8-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1
C16H30O9366.4043200
9200131

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C16H30O9/c1-15(22)4-3-8(16(2,23)7-18)5-10(15)25-14-13(21)12(20)11(19)9(6-17)24-14/h8-14,17-23H,3-7H2,1-2H3/t8-,9-,10+,11-,12+,13-,14+,15+,16-/m1/s1
C16H30O9366.4042100
34251508

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C16H30O9/c17-6-9-1-2-16(8-19,11(20)5-9)3-4-24-15-14(23)13(22)12(21)10(7-18)25-15/h9-15,17-23H,1-8H2/t9-,10+,11-,12+,13-,14+,15+,16+/m0/s1
C16H30O9366.4042200
34501350

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H30O9/c17-4-5-22-6-7-23-8-9-24-10-11-25-13-14(12-16(20)21)2-1-3-15(18)19/h14,17H,1-13H2,(H,18,19)(H,20,21)
C16H30O9366.4042200
57541151
InChI=1/C13H24O7.C3H6O2/c1-3-12(15)19-7-5-17-9-11(14)10-18-6-8-20-13(16)4-2;1-2-3(4)5/h11,14H,3-10H2,1-2H3;2H2,1H3,(H,4,5)
C16H30O9366.4042200
4930295

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C16H30O9/c1-17-9-8-24-16(13(21-5)11(9)19-3)25-14-12(20-4)10(18-2)7-23-15(14)22-6/h9-16H,7-8H2,1-6H3
C16H30O9366.4042300
8265841

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C16H30O9/c1-7-9(17)12(19-3)10(18)15(23-7)25-11-8(2)24-16(22-6)14(21-5)13(11)20-4/h7-18H,1-6H3/t7-,8-,9-,10+,11-,12+,13+,14+,15-,16+/m0/s1
C16H30O9366.4042100
8265842

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H30O9/c1-10(2)7-22-8-11-13(20-3)14(21-4)15(23-6-5-17)16(25-11)24-9-12(18)19/h10-11,13-17H,5-9H2,1-4H3,(H,18,19)/t11-,13-,14+,15+,16-/m1/s1
C16H30O9366.4042100
8722244

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C16H30O9/c1-2-3-4-5-6-12(19)23-9-10(7-17)24-16-15(22)14(21)13(20)11(8-18)25-16/h10-11,13-18,20-22H,2-9H2,1H3/t10-,11+,13-,14-,15+,16+/m0/s1
C16H30O9366.4042100
8794252

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C16H30O9/c1-2-3-4-5-6-12(19)23-9-10(7-17)24-16-15(22)14(21)13(20)11(8-18)25-16/h10-11,13-18,20-22H,2-9H2,1H3/t10-,11-,13+,14+,15-,16-/m1/s1
C16H30O9366.4042100
8794253

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C16H30O9/c1-8(9(19)6-17)4-5-11(20)16(2,3)25-15-14(23)13(22)12(21)10(7-18)24-15/h9-15,17-23H,1,4-7H2,2-3H3/t9?,10-,11?,12-,13+,14-,15+/m1/s1
C16H30O9366.4042100
8818012

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C16H30O9/c1-2-3-4-5-6-12(19)23-9-11-13(20)14(21)15(22)16(25-11)24-10(7-17)8-18/h10-11,13-18,20-22H,2-9H2,1H3/t11-,13+,14+,15-,16-/m1/s1
C16H30O9366.4042100
12

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