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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 77 results

Search term: C22H22O13 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4478519

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m1/s1
C22H22O13494.4023171800
4589280

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-32-11-2-7(21-19(30)17(28)14-9(25)4-8(24)5-10(14)33-21)3-12(15(11)26)34-22-20(31)18(29)16(27)13(6-23)35-22/h2-5,13,16,18,20,22-27,29-31H,6H2,1H3/t13-,16-,18+,20-,22-/m1/s1
C22H22O13494.402310800
4588345

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m0/s1
C22H22O13494.40238900
67030955

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-32-12-3-7(2-10(26)15(12)27)20-21(17(29)14-9(25)4-8(24)5-11(14)33-20)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16-,18+,19-,22+/m1/s1
C22H22O13494.40237700
10142608

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-32-20-10(26)5-11-13(15(20)28)16(29)21(19(33-11)7-2-3-8(24)9(25)4-7)35-22-18(31)17(30)14(27)12(6-23)34-22/h2-5,12,14,17-18,22-28,30-31H,6H2,1H3/t12-,14-,17+,18-,22+/m1/s1
C22H22O13494.40235500
10306186

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-32-20-10(26)5-11-13(15(20)28)16(29)21(19(33-11)7-2-3-8(24)9(25)4-7)35-22-18(31)17(30)14(27)12(6-23)34-22/h2-5,12,14,17-18,22-28,30-31H,6H2,1H3/t12-,14+,17+,18-,22+/m1/s1
C22H22O13494.40234400
29814773

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-32-20-10(26)2-7(3-11(20)27)19-21(16(29)14-9(25)4-8(24)5-12(14)33-19)35-22-18(31)17(30)15(28)13(6-23)34-22/h2-5,13,15,17-18,22-28,30-31H,6H2,1H3/t13-,15-,17+,18-,22+/m1/s1
C22H22O13494.40234300
22913579

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-6-13(26)17(30)18(31)22(33-6)35-21-16(29)12-8(23)5-11(32-2)15(28)20(12)34-19(21)7-3-9(24)14(27)10(25)4-7/h3-6,13,17-18,22-28,30-31H,1-2H3/t6-,13-,17+,18+,22-/m0/s1
C22H22O13494.40234300
4590625

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-32-12-3-7(2-10(25)15(12)26)21-19(30)17(28)14-9(24)4-8(5-11(14)34-21)33-22-20(31)18(29)16(27)13(6-23)35-22/h2-5,13,16,18,20,22-27,29-31H,6H2,1H3/t13-,16-,18+,20-,22-/m1/s1
C22H22O13494.40234400
9693640

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-31-17-9(23)3-7(4-10(17)24)21(29)33-6-12-14(26)16(28)20-19(34-12)13-8(22(30)35-20)5-11(25)18(32-2)15(13)27/h3-5,12,14,16,19-20,23-28H,6H2,1-2H3/t12-,14-,16+,19+,20-/m1/s1
C22H22O13494.40233200
9905441

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c23-8-15-18(30)20(35-21(32)10-6-13(26)17(29)14(27)7-10)19(31)22(33-15)34-16(28)4-2-9-1-3-11(24)12(25)5-9/h1-7,15,18-20,22-27,29-31H,8H2/b4-2+/t15-,18-,19-,20+,22+/m1/s1
C22H22O13494.40233300
22913363

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-32-9-4-7(2-3-8(9)24)21-19(30)17(28)13-10(33-21)5-11(14(25)16(13)27)34-22-20(31)18(29)15(26)12(6-23)35-22/h2-5,12,15,18,20,22-27,29-31H,6H2,1H3/t12-,15-,18+,20-,22-/m1/s1
C22H22O13494.40233200
24845225

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H22O13/c1-32-11-4-8(24)5-12-14(11)17(29)21(20(33-12)7-2-9(25)15(27)10(26)3-7)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16+,18?,19?,22+/m1/s1
C22H22O13494.40232200
24845226

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H22O13/c1-32-11-4-8(24)5-12-14(11)17(29)21(20(33-12)7-2-9(25)15(27)10(26)3-7)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16-,18?,19?,22+/m1/s1
C22H22O13494.40232200
24845228

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H22O13/c1-32-11-4-8(33-22-20(31)18(29)16(27)13(6-23)35-22)5-12-14(11)17(28)19(30)21(34-12)7-2-9(24)15(26)10(25)3-7/h2-5,13,16,18,20,22-27,29-31H,6H2,1H3/t13?,16-,18+,20?,22-/m1/s1
C22H22O13494.40232200
24845325

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H22O13/c1-32-8-4-9(24)14-12(5-8)33-20(7-2-10(25)15(27)11(26)3-7)21(17(14)29)35-22-19(31)18(30)16(28)13(6-23)34-22/h2-5,13,16,18-19,22-28,30-31H,6H2,1H3/t13-,16+,18?,19?,22-/m1/s1
C22H22O13494.40232200
24845815

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C22H22O13/c1-31-19-13(27)11-14(28)21(35-22-15(29)12(26)10(25)6-33-22)17(7-3-4-8(23)9(24)5-7)34-18(11)20(32-2)16(19)30/h3-5,10,12,15,22-27,29-30H,6H2,1-2H3/t10-,12?,15?,22-/m0/s1
C22H22O13494.40232200
9060787

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c23-8-15-19(35-21(31)10-6-13(26)17(29)14(27)7-10)20(18(30)22(32)33-15)34-16(28)4-2-9-1-3-11(24)12(25)5-9/h1-7,15,18-20,22-27,29-30,32H,8H2/b4-2+/t15-,18-,19-,20-,22-/m1/s1
C22H22O13494.40232100
4478172

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C22H22O13/c1-32-11-2-7(21-19(30)17(28)14-9(25)4-8(24)5-10(14)33-21)3-12(15(11)26)34-22-20(31)18(29)16(27)13(6-23)35-22/h2-5,13,16,18,20,22-27,29-31H,6H2,1H3/t13-,16?,18+,20?,22-/m1/s1
C22H22O13494.40232200
4479500

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C22H22O13/c1-32-19-11(27)5-10(26)13-15(29)21(35-22-17(31)16(30)14(28)12(6-23)33-22)18(34-20(13)19)7-2-3-8(24)9(25)4-7/h2-5,12,14,16-17,22-28,30-31H,6H2,1H3/t12-,14-,16-,17-,22-/m0/s1
C22H22O13494.40232200
1234

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