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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 32 results

Search term: C25H26O12 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17461579

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H26O12/c1-11-19(30)16-8-6-7-9-17(16)20(31)21(11)37-25-24(35-15(5)29)23(34-14(4)28)22(33-13(3)27)18(36-25)10-32-12(2)26/h6-9,18,22-25H,10H2,1-5H3/t18-,22-,23+,24-,25+/m1/s1
C25H26O12518.466710700
2327572

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C25H26O12/c1-8-5-9-13(17(29)15-14(18(9)31-2)10(26)6-11(27)16(15)28)19-12(8)20-21-24(30,35-19)23(7-34-23)25(36-20,37-21)22(32-3)33-4/h5,10-11,20-22,26-27,29-30H,6-7H2,1-4H3
C25H26O12518.466749800
419071

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H26O12/c1-33-16-8-11(9-17(34-2)20(16)28)24(32)35-10-18-21(29)22(30)23(31)25(37-18)36-15-7-6-13(26)12-4-3-5-14(27)19(12)15/h3-9,18,21-23,25-31H,10H2,1-2H3/t18-,21-,22+,23-,25-/m1/s1
C25H26O12518.46676500
24022786

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)/t15-,18+,21+,22-,23+,24-,25+/m0/s1
C25H26O12518.46675700
4977424

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H26O12/c1-34-25-24(37-21(32)9-5-14-3-7-16(28)18(30)11-14)23(22(33)19(12-26)35-25)36-20(31)8-4-13-2-6-15(27)17(29)10-13/h2-11,19,22-30,33H,12H2,1H3/b8-4+,9-5+/t19-,22-,23+,24-,25+/m1/s1
C25H26O12518.46675500
4977425

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H26O12/c1-34-25-24(37-21(32)9-5-14-3-7-16(28)18(30)11-14)23(22(33)19(12-26)35-25)36-20(31)8-4-13-2-6-15(27)17(29)10-13/h2-11,19,22-30,33H,12H2,1H3/b8-4+,9-5+/t19-,22-,23+,24-,25-/m1/s1
C25H26O12518.46675500
4977426

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H26O12/c1-34-25-23(33)24(37-21(31)9-5-14-3-7-16(27)18(29)11-14)22(32)19(36-25)12-35-20(30)8-4-13-2-6-15(26)17(28)10-13/h2-11,19,22-29,32-33H,12H2,1H3/b8-4+,9-5+/t19-,22-,23-,24+,25+/m1/s1
C25H26O12518.46675500
4977427

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H26O12/c1-34-25-23(33)24(37-21(31)9-5-14-3-7-16(27)18(29)11-14)22(32)19(36-25)12-35-20(30)8-4-13-2-6-15(26)17(28)10-13/h2-11,19,22-29,32-33H,12H2,1H3/b8-4+,9-5+/t19-,22-,23-,24+,25-/m1/s1
C25H26O12518.46675500
4977428

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H26O12/c1-34-25-24(37-21(31)9-5-14-3-7-16(27)18(29)11-14)23(33)22(32)19(36-25)12-35-20(30)8-4-13-2-6-15(26)17(28)10-13/h2-11,19,22-29,32-33H,12H2,1H3/b8-4+,9-5+/t19-,22-,23+,24-,25+/m1/s1
C25H26O12518.46675500
4977429

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H26O12/c1-34-25-24(37-21(31)9-5-14-3-7-16(27)18(29)11-14)23(33)22(32)19(36-25)12-35-20(30)8-4-13-2-6-15(26)17(28)10-13/h2-11,19,22-29,32-33H,12H2,1H3/b8-4+,9-5+/t19-,22-,23+,24-,25-/m1/s1
C25H26O12518.46675500
8919806

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H26O12/c1-11(26)34-10-18-20(28)22(30)23(31)25(37-18)36-17-9-16-19(21(29)24(17)33-3)14(27)8-15(35-16)12-4-6-13(32-2)7-5-12/h4-9,18,20,22-23,25,28-31H,10H2,1-3H3/t18-,20-,22+,23-,25-/m1/s1
C25H26O12518.46675400
108341258

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C25H26O12/c26-8-16-20(29)21(30)22(31)25(36-16)37-24-18-12(7-15-19(18)14(10-34-24)23(32)35-15)9-33-17(28)6-3-11-1-4-13(27)5-2-11/h1-7,10,15-16,18-22,24-27,29-31H,8-9H2/b6-3+/t15-,16+,18+,19-,20+,21-,22+,24-,25-/m0/s1
C25H26O12518.46674400
24844092

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H26O12/c1-11(26)34-10-18-20(28)22(30)23(31)25(37-18)36-17-9-16-19(21(29)24(17)33-3)14(27)8-15(35-16)12-4-6-13(32-2)7-5-12/h4-9,18,20,22-23,25,28-31H,10H2,1-3H3/t18?,20-,22+,23?,25-/m1/s1
C25H26O12518.46673300
75565936

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H26O12/c1-8-5-9-13(17(29)15-14(18(9)31-2)10(26)6-11(27)16(15)28)19-12(8)20-21-24(30,35-19)23(7-34-23)25(36-20,37-21)22(32-3)33-4/h5,10-11,20-22,26-27,29-30H,6-7H2,1-4H3/t10-,11-,20-,21-,23-,24+,25-/m0/s1
C25H26O12518.46673300
2884781

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C25H26O12/c1-11-19(30)16-8-6-7-9-17(16)20(31)21(11)37-25-24(35-15(5)29)23(34-14(4)28)22(33-13(3)27)18(36-25)10-32-12(2)26/h6-9,18,22-25H,10H2,1-5H3
C25H26O12518.466742100
24636084

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H26O12/c1-32-15-8-12(3-5-13(15)35-25-21(31)20(30)19(29)16(9-26)36-25)22-17(10-27)34-24-14(33-22)6-2-11-4-7-18(28)37-23(11)24/h2-8,16-17,19-22,25-27,29-31H,9-10H2,1H3/t16-,17+,19-,20+,21-,22+,25-/m1/s1
C25H26O12518.46672200
24669864

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H26O12/c1-10-18(28)17-19(29)12(4-11-2-3-14-15(5-11)35-9-34-14)8-33-24(17)13(6-26)23(10)37-25-22(32)21(31)20(30)16(7-27)36-25/h2-3,5-6,12,16,20-22,25,27-28,30-32H,4,7-9H2,1H3/t12-,16-,20-,21+,22-,25+/m1/s1
C25H26O12518.46672200
24710645

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H26O12/c26-17(9-6-12-4-2-1-3-5-12)34-11-16-19(27)20(28)21(29)25(36-16)37-24-18-13(7-8-14(18)22(30)31)15(10-35-24)23(32)33/h1-6,8-10,13,16,18-21,24-25,27-29H,7,11H2,(H,30,31)(H,32,33)/b9-6+/t13-,16-,18+,19-,20+,21-,24+,25+/m1/s1
C25H26O12518.46672200
9773561

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C25H26O12/c26-17(9-6-12-4-2-1-3-5-12)34-11-16-19(27)20(28)21(29)25(36-16)37-24-18-13(7-8-14(18)22(30)31)15(10-35-24)23(32)33/h1-6,8-10,13,16,18-21,24-25,27-29H,7,11H2,(H,30,31)(H,32,33)/b9-6+/t13-,16-,18+,19-,20+,21-,24-,25+/m1/s1
C25H26O12518.46672100
12

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