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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 28 results

Search term: C21H27ClO5 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3378517

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3
C21H27ClO5394.88908596400
8041134

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1
C21H27ClO5394.8891282700
58827834

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3/t17-,18-/m1/s1
C21H27ClO5394.8891191900
4953606

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+/t12-,17-,20+,21-/m0/s1
C21H27ClO5394.8891131000
103881842

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3/t17-,18-/m0/s1
C21H27ClO5394.88914400
23330246

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C21H27ClO5/c1-3-5-6-16(4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11+
C21H27ClO5394.88913300
23330582

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H27ClO5/c1-3-5-16(6-4-2)19(24)26-14-21(13-23)12-17(20(25)27-21)11-15-7-9-18(22)10-8-15/h7-11,16,23H,3-6,12-14H2,1-2H3/b17-11-
C21H27ClO5394.88913300
8561435

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+/t12?,17-,20-,21+/m1/s1
C21H27ClO5394.88913200
9386654

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C21H27ClO5/c1-4-18-16-7-5-6-15(10-16)8-13(2)9-17(22)11-21(26,12-23)19(24)14(3)20(25)27-18/h5-7,9-10,13-14,18,23,26H,4,8,11-12H2,1-3H3/b17-9-/t13-,14+,18-,21-/m0/s1
C21H27ClO5394.88913300
23195632

2 of 8 defined stereocentres - 2/8 defined
InChI=1/C21H27ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12?,13?,15-,16?,18?,19?,20?,21-/m0/s1
C21H27ClO5394.88912200
8772200

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H27ClO5/c1-12-4-9-17-13(2)18(23-15-7-5-14(22)6-8-15)24-19-21(17)16(12)10-11-20(3,25-19)26-27-21/h5-8,12-13,16-19H,4,9-11H2,1-3H3/t12-,13-,16?,17+,18+,19-,20-,21-/m1/s1
C21H27ClO5394.88912100
8772201

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H27ClO5/c1-19-10-26-15(24)9-13(19)17(22)18(25)16-11(19)3-6-20(2)12(16)4-7-21(20)8-5-14(23)27-21/h9,11-12,16-18,25H,3-8,10H2,1-2H3/t11-,12-,16+,17-,18-,19+,20-,21+/m0/s1
C21H27ClO5394.88912100
34224441

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C21H27ClO5/c1-12-4-9-17-13(2)18(23-15-7-5-14(22)6-8-15)24-19-21(17)16(12)10-11-20(3,25-19)26-27-21/h5-8,12-13,16-19H,4,9-11H2,1-3H3/t12-,13-,16+,17+,18?,19-,20-,21-/m1/s1
C21H27ClO5394.88912200
7385519

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C21H27ClO5/c1-24-16-5-13(6-17(25-2)18(16)26-3)11-27-19(23)20-7-14-4-15(8-20)10-21(22,9-14)12-20/h5-6,14-15H,4,7-12H2,1-3H3/t14-,15+,20?,21?
C21H27ClO5394.88912100
4947551

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+
C21H27ClO5394.88912200
8153566

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C21H27ClO5/c1-12-4-9-17-13(2)18(23-15-7-5-14(22)6-8-15)24-19-21(17)16(12)10-11-20(3,25-19)26-27-21/h5-8,12-13,16-19H,4,9-11H2,1-3H3/t12-,13-,16+,17+,18+,19-,20-,21-/m1/s1
C21H27ClO5394.88912100
8425551

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C21H27ClO5/c1-13-8-17(23)21-12-27-18(24)20(13,16(21)5-3-4-14(21)9-22)11-19(2,25)15-6-7-26-10-15/h6-7,9-10,13,16-17,23,25H,3-5,8,11-12H2,1-2H3/b14-9+/t13-,16-,17+,19-,20+,21-/m1/s1
C21H27ClO5394.88912100
8561434

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+/t12?,17-,20+,21-/m0/s1
C21H27ClO5394.88912100
12

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