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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
Additional Filters

Found 143 results

Search term: C31H46O5 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4581934

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H46O5/c1-18(2)20(5)9-10-21(28(35)36)27-25(32)17-31(8)24-12-11-22(19(3)4)29(6,15-14-26(33)34)23(24)13-16-30(27,31)7/h12-13,18,21-22,25,27,32H,3,5,9-11,14-17H2,1-2,4,6-8H3,(H,33,34)(H,35,36)/t21-,22+,25-,27+,29+,30-,31+/m1/s1
C31H46O5498.6939373600
28536396

Double-bond stereo

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C31H46O5/c1-2-3-4-11-24(35-30-13-5-7-17-33-30)15-16-25-26-19-22-10-9-12-28(32)27(22)20-23(26)21-29(25)36-31-14-6-8-18-34-31/h9-10,12,15-16,23-26,29-32H,2-8,11,13-14,17-21H2,1H3/b16-15+/t23-,24-,25+,26-,29+,30?,31?/m0/s1
C31H46O5498.6939231200
57256983

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H46O5/c1-17(2)18(3)9-10-19(27(35)36)25-23(33)16-31(8)21-15-22(32)26-28(4,5)24(34)12-13-29(26,6)20(21)11-14-30(25,31)7/h11,15,17,19,22-23,25-26,32-33H,3,9-10,12-14,16H2,1-2,4-8H3,(H,35,36)/t19-,22+,23-,25+,26+,29-,30-,31+/m1/s1
C31H46O5498.6939121000
17461870

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C31H46O5/c1-26(2)22-8-11-31(7)24(29(22,5)10-9-23(26)36-18-32)21(33)16-19-20-17-28(4,25(34)35)13-12-27(20,3)14-15-30(19,31)6/h16-17,22-24,32H,8-15,18H2,1-7H3,(H,34,35)/t22?,23-,24?,27+,28-,29-,30+,31+/m0/s1
C31H46O5498.693911600
229358

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H46O5/c1-18(17-34-20(3)32)7-10-27-19(2)29-28(36-27)16-26-24-9-8-22-15-23(35-21(4)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18,23-26,28-29H,7,9-17H2,1-6H3
C31H46O5498.693991000
48059569

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H46O5/c1-18(2)9-8-10-21(28(34)35)27-23-11-12-26-29(5)15-14-24(33)19(3)22(29)13-16-30(26,6)31(23,7)17-25(27)36-20(4)32/h9,12,19,22-25,33H,8,10-11,13-17H2,1-7H3,(H,34,35)/b27-21-/t19-,22-,23-,24+,25-,29-,30-,31-/m0/s1
C31H46O5498.69397500
9014352

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O5/c1-18(17-34-20(3)32)7-10-27-19(2)29-28(36-27)16-26-24-9-8-22-15-23(35-21(4)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18,23-26,28-29H,7,9-17H2,1-6H3/t18-,23+,24-,25+,26+,28+,29+,30+,31+/m1/s1
C31H46O5498.693951000
10166467

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19+,24+,25-,26+,27-,28+,29-,31-/m1/s1
C31H46O5498.69395400
10166596

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19-,24+,25-,26+,27-,28+,29-,31-/m1/s1
C31H46O5498.69395400
10167112

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19-,24+,25-,26+,27-,28-,29-,31-/m1/s1
C31H46O5498.69395400
10167902

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O5/c1-18(16-28-19(2)20(3)30(35)36-28)25-12-13-26-22(8-6-14-31(25,26)5)10-11-23-17-27(33)24(9-7-15-32)29(34)21(23)4/h10-11,18-19,24-29,32-34H,3-4,6-9,12-17H2,1-2,5H3/b22-10+,23-11-/t18-,19+,24+,25-,26+,27-,28-,29-,31-/m1/s1
C31H46O5498.69395400
17461158

2 of 9 defined stereocentres - 2/9 defined
InChI=1/C31H46O5/c1-18(17-34-20(3)32)7-10-27-19(2)29-28(36-27)16-26-24-9-8-22-15-23(35-21(4)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18,23-26,28-29H,7,9-17H2,1-6H3/t18?,23?,24?,25?,26?,28?,29?,30-,31-/m0/s1
C31H46O5498.69394100
8293246

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C31H46O5/c1-17(2)22-23-18-9-10-20-28(5)13-12-21(32)27(3,4)19(28)11-14-30(20,7)29(18,6)15-16-31(23,26(35)36-8)25(34)24(22)33/h17-21,32H,9-16H2,1-8H3/t18?,19?,20?,21-,28-,29+,30+,31-/m0/s1
C31H46O5498.69394300
8776782

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C31H46O5/c1-17-16-31(17)12-7-11-28(4)22(31)10-13-29(5)21-9-8-20-19(3)35-27(34)26(20)30(21,6)24(15-23(28)29)36-25(33)14-18(2)32/h17-19,21-24,32H,7-16H2,1-6H3/t17-,18?,19+,21-,22+,23+,24-,28-,29-,30+,31-/m0/s1
C31H46O5498.69394300
8824369

10 of 11 defined stereocentres - 10/11 defined
InChI=1/C31H46O5/c1-17-16-31(17)12-7-11-28(4)22(31)10-13-29(5)21-9-8-20-19(3)35-27(34)26(20)30(21,6)24(15-23(28)29)36-25(33)14-18(2)32/h17-19,21-24,32H,7-16H2,1-6H3/t17-,18?,19-,21-,22+,23+,24-,28-,29-,30+,31-/m0/s1
C31H46O5498.69394300
8872011

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C31H46O5/c1-19(9-12-28(35)36-18-20-7-5-4-6-8-20)23-10-11-24-29-25(17-27(34)31(23,24)3)30(2)14-13-22(32)15-21(30)16-26(29)33/h4-8,19,21-27,29,32-34H,9-18H2,1-3H3/t19-,21+,22-,23-,24+,25+,26-,27+,29+,30+,31-/m1/s1
C31H46O5498.69394200
9354618

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C31H46O5/c1-18(17-34-20(3)32)7-10-27-19(2)29-28(36-27)16-26-24-9-8-22-15-23(35-21(4)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18,23-26,28-29H,7,9-17H2,1-6H3/t18?,23-,24+,25-,26-,28-,29-,30-,31-/m0/s1
C31H46O5498.69394200
9561369

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O5/c1-18(2)19-11-14-31(26(34)35-8)16-15-29(6)20(24(19)31)9-10-22-28(5)17-23(32)36-25(33)27(3,4)21(28)12-13-30(22,29)7/h19-22,24H,1,9-17H2,2-8H3/t19-,20+,21-,22+,24+,28-,29+,30+,31-/m0/s1
C31H46O5498.69394300
20568800

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H46O5/c1-18(28(4,5)36)9-10-19(26(34)35)25-22(32)17-31(8)21-11-12-23-27(2,3)24(33)14-15-29(23,6)20(21)13-16-30(25,31)7/h11,13,19,22-23,25,32,36H,1,9-10,12,14-17H2,2-8H3,(H,34,35)/t19?,22-,23+,25+,29-,30-,31+/m1/s1
C31H46O5498.69394400
21166877

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C31H46O5/c1-4-5-18-35-28(33)20-6-8-21(9-7-20)29(34)36-27-13-12-25-24-11-10-22-19-23(32)14-16-30(22,2)26(24)15-17-31(25,27)3/h19-21,24-27H,4-18H2,1-3H3/t20?,21?,24-,25-,26-,27-,30-,31-/m0/s1
C31H46O5498.69394400
12345

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