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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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Isotopically Labeled
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Found 31 results

Search term: C25H24O13 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
30777345

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H24O13/c1-34-16-6-13-15(35-9-14(21(13)30)11-2-4-12(26)5-3-11)7-17(16)37-25-24(33)23(32)22(31)18(38-25)10-36-20(29)8-19(27)28/h2-7,9,18,22-26,31-33H,8,10H2,1H3,(H,27,28)/t18-,22-,23+,24-,25-/m1/s1
C25H24O13532.4503151600
4445345

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1
C25H24O13532.45026141600
22912907

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)/t13-,18+,21+,22-,23+,24-,25+/m0/s1
C25H24O13532.4503131000
21468865

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H24O13/c1-34-13-6-14-20(30)15(11-2-4-12(26)5-3-11)9-36-24(14)16(7-13)37-25-23(33)22(32)21(31)17(38-25)10-35-19(29)8-18(27)28/h2-7,9,17,21-23,25-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,21-,22+,23-,25-/m1/s1
C25H24O13532.45038600
552875

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C25H24O13/c26-13-2-1-9(4-14(13)27)20-11-6-16(29)15(28)5-10(11)3-12(21(20)24(34)35)25(36)38-23-18(7-19(31)32)37-8-17(30)22(23)33/h1-6,17-18,20-23,26-30,33H,7-8H2,(H,31,32)(H,34,35)/t17-,18-,20+,21+,22-,23-/m0/s1
C25H24O13532.45033300
8455591

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H24O13/c1-34-15-6-13(7-16-20(15)21(30)14(9-35-16)11-2-4-12(26)5-3-11)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17-,22-,23+,24-,25-/m1/s1
C25H24O13532.45032100
8612495

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H24O13/c26-12-3-1-11(2-4-12)14-9-35-16-8-13(7-15(27)20(16)21(14)31)37-25-24(34)23(33)22(32)17(38-25)10-36-19(30)6-5-18(28)29/h1-4,7-9,17,22-27,32-34H,5-6,10H2,(H,28,29)/t17-,22-,23+,24-,25-/m1/s1
C25H24O13532.45032100
24843517

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H24O13/c1-9(26)35-8-18-21(33)22(34)25(36-10(2)27)24(38-18)20-15(31)6-14(30)19-16(32)7-17(37-23(19)20)11-3-4-12(28)13(29)5-11/h3-7,18,21-22,24-25,28-31,33-34H,8H2,1-2H3/t18-,21+,22?,24-,25?/m0/s1
C25H24O13532.45032200
24843518

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H24O13/c1-9(26)35-8-18-21(32)23(34)25(36-10(2)27)24(38-18)20-15(31)7-17-19(22(20)33)14(30)6-16(37-17)11-3-4-12(28)13(29)5-11/h3-7,18,21,23-25,28-29,31-34H,8H2,1-2H3/t18?,21-,23+,24+,25?/m1/s1
C25H24O13532.45032200
24843973

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H24O13/c1-34-13-6-16-21(14(27)8-15(36-16)11-2-4-12(26)5-3-11)17(7-13)37-25-24(33)23(32)22(31)18(38-25)10-35-20(30)9-19(28)29/h2-8,18,22-26,31-33H,9-10H2,1H3,(H,28,29)/t18?,22-,23+,24?,25-/m1/s1
C25H24O13532.45032200
24844689

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H24O13/c1-10(27)34-22-17(9-26)37-25(20(33)24(22)35-11(2)28)38-23-19(32)18-15(31)7-14(30)8-16(18)36-21(23)12-3-5-13(29)6-4-12/h3-8,17,20,22,24-26,29-31,33H,9H2,1-2H3/t17?,20?,22-,24-,25+/m1/s1
C25H24O13532.45032200
24846158

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H24O13/c1-10(26)34-9-18-24(35-11(2)27)21(32)22(33)25(38-18)37-16-6-4-13-19(30)17(36-23(13)20(16)31)8-12-3-5-14(28)15(29)7-12/h3-8,18,21-22,24-25,28-29,31-33H,9H2,1-2H3/t18?,21-,22?,24-,25-/m1/s1
C25H24O13532.45032200
24846164

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H24O13/c1-10(26)34-9-18-21(32)24(35-11(2)27)22(33)25(38-18)37-16-6-4-13-19(30)17(36-23(13)20(16)31)8-12-3-5-14(28)15(29)7-12/h3-8,18,21-22,24-25,28-29,31-33H,9H2,1-2H3/b17-8-/t18?,21-,22?,24+,25-/m1/s1
C25H24O13532.45032200
128435837

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H24O13/c1-34-12-4-2-11(3-5-12)16-8-15(27)21-14(26)6-13(7-17(21)37-16)36-25-24(33)23(32)22(31)18(38-25)10-35-20(30)9-19(28)29/h2-8,18,22-26,31-33H,9-10H2,1H3,(H,28,29)/t18-,22-,23+,24-,25-/m1/s1
C25H24O13532.45032200
58991113

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H24O13/c1-34-17-6-11(2-5-15(17)26)14-9-35-16-7-12(3-4-13(16)21(14)30)37-25-24(33)23(32)22(31)18(38-25)10-36-20(29)8-19(27)28/h2-7,9,18,22-26,31-33H,8,10H2,1H3,(H,27,28)/t18-,22-,23+,24-,25-/m1/s1
C25H24O13532.45032200
59002238

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)/t13?,18-,21-,22+,23-,24?,25-/m1/s1
C25H24O13532.45032200
113618681

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H24O13/c1-34-13-6-14-20(30)15(11-2-4-12(26)5-3-11)9-36-24(14)16(7-13)37-25-23(33)22(32)21(31)17(38-25)10-35-19(29)8-18(27)28/h2-7,9,17,21-23,25-26,31-33H,8,10H2,1H3,(H,27,28)/t17?,21-,22-,23?,25-/m1/s1
C25H24O13532.45031100
115269668

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H24O13/c1-34-13-6-16-21(14(27)8-15(36-16)11-2-4-12(26)5-3-11)17(7-13)37-25-24(33)23(32)22(31)18(38-25)10-35-20(30)9-19(28)29/h2-8,18,22-26,31-33H,9-10H2,1H3,(H,28,29)/t18-,22-,23+,24-,25-/m1/s1
C25H24O13532.45031100
24842785

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)/t17?,22-,23+,24?,25-/m1/s1
C25H24O13532.45031100
29355733

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C25H24O13/c1-9-21(35-10(2)26)20(33)24(36-11(3)27)25(34-9)38-23-19(32)18-16(31)7-13(28)8-17(18)37-22(23)12-4-5-14(29)15(30)6-12/h4-9,20-21,24-25,28-31,33H,1-3H3/t9-,20+,21+,24-,25+/m1/s1
C25H24O13532.45031100
12

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