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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 41 results

Search term: C25H46O5 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
268411
InChI=1/C25H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(26)23(24(27)29-5-2)25(28)30-6-3/h23H,4-21H2,1-3H3
C25H46O5426.62979600
28716327
InChI=1/C25H46O5/c1-29-24(27)21-17-13-9-5-3-7-11-15-19-23(26)20-16-12-8-4-6-10-14-18-22-25(28)30-2/h3-22H2,1-2H3
C25H46O5426.62975400
9048890

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H46O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(30-25(4,5)28-20)22(26)21-19-27-24(2,3)29-21/h17-18,20-23,26H,6-16,19H2,1-5H3/b18-17-/t20-,21-,22-,23-/m1/s1
C25H46O5426.62974500
9650673
InChI=1/C25H46O5/c1-7-29-22(27)24(3,4)19-15-11-9-13-17-21(26)18-14-10-12-16-20-25(5,6)23(28)30-8-2/h7-20H2,1-6H3
C25H46O5426.62973200
29368544

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C25H46O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(28)30-23(21-26)22-29-24(27)19-4-2/h11-12,23,26H,3-10,13-22H2,1-2H3/b12-11-/t23-/m0/s1
C25H46O5426.62973400
57493062

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H46O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25(28)30-4)23(26)19-21(2)20-24(27)29-3/h21-22H,5-20H2,1-4H3
C25H46O5426.62973400
75572370

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H46O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(30-25(4,5)28-20)22(26)21-19-27-24(2,3)29-21/h17-18,20-23,26H,6-16,19H2,1-5H3/t20-,21-,22-,23-/m1/s1
C25H46O5426.62973200
9456746

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C25H46O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28-3)20-21-25(29-4,30-24)22-23(26)27-2/h20-21H,5-19,22H2,1-4H3
C25H46O5426.62973100
9491251

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H46O5/c1-5-7-8-9-10-11-12-13-14-15-17-23(29-21-27-4)25-19-18-24(30-25)22(16-6-2)28-20-26-3/h2,22-25H,5,7-21H2,1,3-4H3/t22-,23+,24-,25-/m1/s1
C25H46O5426.62972100
9525750

Double-bond stereo
InChI=1/C25H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(28,23(26)29-5-2)24(27)30-6-3/h20-21,28H,4-19,22H2,1-3H3/b21-20+
C25H46O5426.62972100
9616587

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H46O5/c1-17(26)30-21-10-8-16-25(6)19(12-13-20(21)25)18(9-7-15-23(2,3)28)11-14-22(27)24(4,5)29/h18-22,27-29H,7-16H2,1-6H3/t18-,19-,20+,21+,22-,25-/m1/s1
C25H46O5426.62972100
8155515

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H46O5/c1-17-9-10-20-22(3,4)12-8-13-24(20,6)25(17,29)16-15-23(5,28)14-11-19(26)18(2)21(27)30-7/h17-20,26,28-29H,8-16H2,1-7H3/t17-,18+,19+,20+,23+,24+,25-/m1/s1
C25H46O5426.62972100
8269525

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H46O5/c1-17-9-10-20-22(3,4)12-8-13-25(20,29)24(17,6)16-15-23(5,28)14-11-19(26)18(2)21(27)30-7/h17-20,26,28-29H,8-16H2,1-7H3/t17-,18+,19+,20+,23+,24-,25+/m1/s1
C25H46O5426.62972100
8288810

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C25H46O5/c1-24(2,18-26)16-6-10-21-14-12-19(29-21)8-5-9-20-13-15-22(30-20)11-7-17-25(3,4)23(27)28/h19-22,26H,5-18H2,1-4H3,(H,27,28)
C25H46O5426.62972100
8773910

3 of 7 defined stereocentres - 3/7 defined
InChI=1/C25H46O5/c1-17-9-16-25(29)22(3,4)12-8-13-24(25,6)19(17)10-14-23(5,28)15-11-20(26)18(2)21(27)30-7/h17-20,26,28-29H,8-16H2,1-7H3/t17?,18-,19?,20-,23+,24?,25?/m0/s1
C25H46O5426.62972100
8845483

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H46O5/c1-3-4-5-6-7-8-9-10-11-12-13-20(28-19-26-2)21-14-15-22(29-21)23-16-17-24(30-23)25-18-27-25/h20-25H,3-19H2,1-2H3/t20-,21+,22+,23+,24+,25+/m0/s1
C25H46O5426.62972100
8940243

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H46O5/c26-21-23-22-29-24(27)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-25(28)30-23/h23,26H,1-22H2
C25H46O5426.62972100
13095690

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-21(26)18-22(27)19-23(28)20-24-16-14-17-25(29)30-24/h14,17,21-24,26-28H,2-13,15-16,18-20H2,1H3/t21-,22-,23-,24+/m0/s1
C25H46O5426.62972200
9212507

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C25H46O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)20-25(30-23(3)27)21-29-22(2)26/h25H,4-21H2,1-3H3
C25H46O5426.62972100
9308821

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C25H46O5/c1-5-7-8-9-10-11-12-13-14-15-17-23(29-21-27-4)25-19-18-24(30-25)22(16-6-2)28-20-26-3/h2,22-25H,5,7-21H2,1,3-4H3/t22-,23-,24-,25-/m1/s1
C25H46O5426.62972100
123

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