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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
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Found 84 results

Search term: C31H46O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
215724
InChI=1/C31H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31(32)34-30-25-23-29(24-26-30)33-27-28-20-17-16-18-21-28/h16-18,20-21,23-26H,2-15,19,22,27H2,1H3
C31H46O3466.6951342900
4444391

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+
C31H46O3466.69514303900
69440
InChI=1/C31H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34-28-23-24-29(30(32)26-28)31(33)27-21-18-17-19-22-27/h17-19,21-24,26,32H,2-16,20,25H2,1H3
C31H46O3466.6951292200
82688

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3
C31H46O3466.6951202100
4573830

Double-bond stereo

2 of 4 defined stereocentres - 2/4 defined
InChI=1/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-,30?,31?/m1/s1
C31H46O3466.6951161900
34993195

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-,30-,31+/m1/s1
C31H46O3466.69519900
4979202

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C31H46O3/c1-2-30(32)28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(33)34/h1,6,8,12,14,23,25-26,28,30,32H,3-5,7,9-11,13,15-22,24H2,(H,33,34)/b8-6-,14-12-,25-23-,28-26+/t30-/m0/s1
C31H46O3466.69516600
172955

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H46O3/c1-19(2)20-9-11-29(5)21(20)10-12-31(7)25(29)24(32)17-22-23-18-28(4,26(33)34-8)14-13-27(23,3)15-16-30(22,31)6/h17,21,23,25H,9-16,18H2,1-8H3/t21-,23-,25+,27+,28-,29-,30+,31+/m0/s1
C31H46O3466.69516600
130988

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C31H46O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-19-31(6)28(34-31)20-27-24(5)29(32)25-17-7-8-18-26(25)30(27)33/h7-8,17-18,21-23,28H,9-16,19-20H2,1-6H3
C31H46O3466.69515500
28591517
InChI=1/C31H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-31(32)33-26-25-28-21-23-30(24-22-28)34-27-29-18-15-14-16-19-29/h14-16,18-19,21-24H,2-13,17,20,25-27H2,1H3
C31H46O3466.69515400
28687128
InChI=1/C31H46O3/c1-28(2,3)19-15-21(26(33-13)23(17-19)30(7,8)9)25(32)22-16-20(29(4,5)6)18-24(27(22)34-14)31(10,11)12/h15-18H,1-14H3
C31H46O3466.69514300
28481055

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H46O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,12-13,21-23H,10-11,14-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1
C31H46O3466.69514400
29784941

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O3/c1-18(2)19(3)15-25(33)20(4)22-11-14-29(7)26-10-9-23-21(24(32)12-13-28(23,5)6)16-31(26)27(34-31)17-30(22,29)8/h12-13,19-20,22,25-27,33H,1,9-11,14-17H2,2-8H3/t19-,20-,22+,25+,26-,27+,29-,30+,31-/m0/s1
C31H46O3466.69514400
173152

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H46O3/c1-19(2)20-9-11-29(5)21(20)10-12-31(7)25(29)24(32)17-22-23-18-28(4,26(33)34-8)14-13-27(23,3)15-16-30(22,31)6/h17,19,23,25H,9-16,18H2,1-8H3/t23-,25-,27-,28+,29+,30-,31-/m1/s1
C31H46O3466.69514400
9549666

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H46O3/c1-21(2)11-10-12-24(7)16-17-30-20-25(14-13-22(3)4)29(8,9)31(28(30)34,18-15-23(5)6)27(33)19-26(30)32/h11,13,15-16,25H,10,12,14,17-20H2,1-9H3/b24-16-/t25-,30-,31+/m0/s1
C31H46O3466.69513200
23141008

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H46O3/c1-21(2)9-7-11-23(4)28-16-17-29-26-15-13-24(20-27(26)30(33)34-6)19-25(32)14-12-22(3)10-8-18-31(28,29)5/h10,13,15,20-21,23,28-29H,7-9,11-12,14,16-19H2,1-6H3/b22-10-/t23-,28-,29+,31-/m1/s1
C31H46O3466.69513300
28942259

5 of 6 defined stereocentres - 5/6 defined
InChI=1/C31H46O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21?,22-,25+,29-,30-,31+/m1/s1
C31H46O3466.69513300
34993255

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20-/t23-,24-,30-,31+/m1/s1
C31H46O3466.69513500
57510955
InChI=1/C31H46O3/c1-3-5-7-9-11-13-15-17-27-18-20-28(21-19-27)31(32)34-30-24-22-29(23-25-30)33-26-16-14-12-10-8-6-4-2/h18-25H,3-17,26H2,1-2H3
C31H46O3466.69513300
57510983
InChI=1/C31H46O3/c1-3-5-7-9-11-12-13-15-17-27-18-20-28(21-19-27)31(32)34-30-24-22-29(23-25-30)33-26-16-14-10-8-6-4-2/h18-25H,3-17,26H2,1-2H3
C31H46O3466.69513300
12345

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