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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 226 results

Search term: C31H52O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
77987

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
C31H52O3472.7428102415716
2033

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
C31H52O3472.74285034700
24589693

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H52O3/c1-20(2)9-8-10-22(5)26-13-14-27-25-12-11-23-19-24(34-29(32)33-21(3)4)15-17-30(23,6)28(25)16-18-31(26,27)7/h11,20-22,24-28H,8-10,12-19H2,1-7H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
C31H52O3472.7428272300
8180616

Double-bond stereo
InChI=1/C31H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-34-31(33)27-24-29-22-25-30(32)26-23-29/h22-27,32H,2-21,28H2,1H3/b27-24+
C31H52O3472.742814900
28284919

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20-,21+,22+,23-,25+,28+,29-,30-,31+/m1/s1
C31H52O3472.742813900
5415678

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m0/s1
C31H52O3472.742812112010
30791669

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h22-25,32-33H,9-19H2,1-8H3/t22-,23-,24+,25-,27-,28+,29-,30-,31-/m1/s1
C31H52O3472.7428111200
32795859

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O3/c1-26(2)18-19-31(8,34-25(26)33-9)21-12-16-29(6)20(21)10-11-23-28(5)15-14-24(32)27(3,4)22(28)13-17-30(23,29)7/h20-23,25H,10-19H2,1-9H3/t20-,21+,22+,23-,25+,28+,29+,30-,31+/m1/s1
C31H52O3472.74289400
5415679

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31+/m0/s1
C31H52O3472.74287500
165804

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H52O3/c1-18(2)20-17-24(34-27(20)33)19(3)21-11-15-31(8)23-9-10-25-28(4,5)26(32)13-14-29(25,6)22(23)12-16-30(21,31)7/h18-21,24-27,32-33H,9-17H2,1-8H3/t19-,20+,21+,24-,25-,26-,27-,29+,30+,31-/m0/s1
C31H52O3472.74287600
229636

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H52O3/c1-7-19-33-29(32)34-24-15-17-30(5)23(20-24)11-12-25-27-14-13-26(22(4)10-8-9-21(2)3)31(27,6)18-16-28(25)30/h11,21-22,24-28H,7-10,12-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
C31H52O3472.74286600
308868

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C31H52O3/c1-21(32)28(5)13-12-23-29(6,22(28)10-11-25(33)34-9)17-19-31(8)24-20-26(2,3)14-15-27(24,4)16-18-30(23,31)7/h22-24H,10-20H2,1-9H3
C31H52O3472.74286700
454367

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C31H52O3/c1-7-19-33-29(32)34-24-15-17-30(5)23(20-24)11-12-25-27-14-13-26(22(4)10-8-9-21(2)3)31(27,6)18-16-28(25)30/h11,21-22,24-28H,7-10,12-20H2,1-6H3
C31H52O3472.74286400
2689364

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H52O3/c1-6-21(4)19-33-31(32)34-24-11-13-26-23(18-24)10-12-29-28(26)17-16-27-25(14-15-30(27)29)22(5)9-7-8-20(2)3/h10,20-22,24-30H,6-9,11-19H2,1-5H3
C31H52O3472.7427800000016200
9377333

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O3/c1-7-8-18-34-28-19-24-26-13-12-25(22(4)11-9-10-21(2)3)29(26,5)16-15-27(24)30(6)17-14-23(32)20-31(28,30)33/h9,11,19,21-23,25-28,32-33H,7-8,10,12-18,20H2,1-6H3/b11-9+/t22-,23+,25-,26+,27+,28-,29-,30-,31+/m1/s1
C31H52O3472.74286500
16787691

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H52O3/c1-26(2)17-21-20-9-10-23-28(4)13-12-24(33)29(5,19-32)22(28)11-14-31(23,7)30(20,6)16-15-27(21,3)25(18-26)34-8/h9,21-25,32-33H,10-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29+,30+,31+/m0/s1
C31H52O3472.74286500
34257917

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H52O3/c1-7-8-10-24(16-18-30(4,5)34)21(2)26-14-15-27-25(11-9-17-31(26,27)6)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b25-13+/t21-,24-,26-,27+,28-,29-,31-/m1/s1
C31H52O3472.74286700
32702210

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H52O3/c1-23(2)26(5)17-16-25(4)13-9-12-24(3)14-10-19-30(7)29(15-11-21-32)28(27(6)22-33)18-20-31(30,8)34/h13-14,22-23,29,32,34H,5,9-12,15-21H2,1-4,6-8H3/b24-14+,25-13+,28-27-/t29-,30+,31+/m1/s1
C31H52O3472.74285700
25031962

Double-bond stereo

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H52O3/c1-7-8-10-24(16-18-30(4,5)34)21(2)26-14-15-27-25(11-9-17-31(26,27)6)13-12-23-19-28(32)22(3)29(33)20-23/h12-13,21,24,26-29,32-34H,3,7-11,14-20H2,1-2,4-6H3/b25-13+/t21-,24+,26-,27+,28-,29-,31-/m1/s1
C31H52O3472.74285500
26333705

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H52O3/c1-9-22(19(2)3)11-10-20(4)25-18-27(33)28-24-13-12-23-21(5)26(32)14-15-30(23,7)31(24,34-8)17-16-29(25,28)6/h19-20,22-23,25-27,32-33H,5,9-18H2,1-4,6-8H3/t20-,22+,23+,25-,26+,27-,29-,30+,31-/m1/s1
C31H52O3472.74285500
12345

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