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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
Additional Filters

Found 28 results

Search term: VDJHFHXMUKFKET (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21171549

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1
C25H34O6430.5339434700
28533061

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16-,17-,18+,19-,21+,24+,25+/m1/s1
C25H34O6430.5339181800
5293863

Double-bond stereo

7 of 8 defined stereocentres - 7/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24?,25+/m1/s1
C25H34O6430.533867700
34997673

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16?,17?,18?,19-,21+,24?,25+/m1/s1
C25H34O6430.53396700
57257126

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16?,17-,18+,19-,21+,24?,25+/m1/s1
C25H34O6430.53396400
44210460

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7+
C25H34O6430.53395400
25995850

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7+/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1
C25H34O6430.53394300
34232848

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3
C25H34O6430.53393300
57575803

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1
C25H34O6430.53393200
60958779

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7+/t14-,16-,17-,18+,19-,21+,24+,25+/m1/s1
C25H34O6430.53392300
62295016

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17+,18-,19-,21+,24-,25-/m1/s1
C25H34O6430.53392200
68905948

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m0/s1
C25H34O6430.53392100
82966469

Double-bond stereo

4 of 8 defined stereocentres - 4/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16?,17?,18?,19-,21+,24?,25+/m0/s1
C25H34O6430.53392100
88298873

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16?,17?,18-,19-,21+,24?,25+/m1/s1
C25H34O6430.53392100
113609316

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7+/t14-,16?,17+,18+,19-,21-,24?,25+/m1/s1
C25H34O6430.53391100
114391570

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7+/t14-,16-,17+,18-,19+,21+,24+,25+/m0/s1
C25H34O6430.53391100
114816209

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7+/t14-,16+,17+,18-,19+,21-,24-,25+/m0/s1
C25H34O6430.53391100
129302609

Double-bond stereo

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7+/t14-,16-,17?,18?,19-,21+,24+,25+/m1/s1
C25H34O6430.53391100
129307548

Double-bond stereo

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-
C25H34O6430.53391100
84393834

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24-,25+/m1/s1
C25H34O6430.53391100
12

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