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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 166 results

Search term: C31H46O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26519546

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H46O4/c1-26(2)13-15-31(25(34)35-8)16-14-30(7)24(19(31)18-26)20(32)17-22-28(5)11-10-23(33)27(3,4)21(28)9-12-29(22,30)6/h17,19,21,24H,9-16,18H2,1-8H3/t19-,21?,24+,28+,29-,30-,31+/m1/s1
C31H46O4482.6945332200
7981050

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-24,26,32H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,26+,29-,30-,31+/m1/s1
C31H46O4482.6945232100
8752165

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H46O4/c1-26(2)13-15-31(25(34)35-8)16-14-30(7)24(19(31)18-26)20(32)17-22-28(5)11-10-23(33)27(3,4)21(28)9-12-29(22,30)6/h17,19,21,24H,9-16,18H2,1-8H3/t19-,21-,24-,28-,29+,30+,31-/m0/s1
C31H46O4482.6945181200
2145390

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C31H46O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22,24H,9-16,18H2,1-8H3
C31H46O4482.69454000000113800
17467235

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C31H46O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17,20,22,24H,9-16,18H2,1-8H3/t20-,22?,24?,27+,28-,29-,30+,31+/m0/s1
C31H46O4482.694513800
17461821

6 of 8 defined stereocentres - 6/8 defined
InChI=1/C31H46O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17-18,22-24,33H,9-16H2,1-8H3/t22?,23-,24?,27+,28-,29-,30+,31+/m0/s1
C31H46O4482.694512600
3233894
InChI=1/C31H46O4/c1-3-5-7-9-11-13-15-23-34-27-19-17-26(18-20-27)31(33)29-22-21-28(25-30(29)32)35-24-16-14-12-10-8-6-4-2/h17-22,25,32H,3-16,23-24H2,1-2H3
C31H46O4482.694510500
4478690

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-24,26,32H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24?,26+,29-,30-,31+/m1/s1
C31H46O4482.69457700
4500458

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C31H46O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17-18,22-24,33H,9-16H2,1-8H3/t22?,23?,24?,27-,28+,29+,30-,31-/m1/s1
C31H46O4482.69457400
2382607

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C31H46O4/c1-26(2)22-9-12-31(7)24(29(22,5)11-10-23(26)33)21(32)17-19-20-18-28(4,25(34)35-8)14-13-27(20,3)15-16-30(19,31)6/h17-18,22-24,33H,9-16H2,1-8H3
C31H46O4482.6945400000016200
450661

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H46O4/c1-19(2)9-8-10-20(3)22-11-13-29(6)24-17-23-26(21(4)27(33)35-23)31(14-12-25(32)34-7)18-30(24,31)16-15-28(22,29)5/h9,20,22-24,26H,4,8,10-18H2,1-3,5-7H3/t20-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
C31H46O4482.69456500
9354254

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C31H46O4/c1-18(2)20(5)9-11-24(29(34)35)28-27(33)17-31(8)25-13-10-21(6)22(12-14-26(32)19(3)4)23(25)15-16-30(28,31)7/h10,13,18-19,24,27-28,33H,5,9,11-12,14-17H2,1-4,6-8H3,(H,34,35)/t24-,27-,28+,30-,31+/m1/s1
C31H46O4482.69456500
10166343

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H46O4/c1-18(2)14-25-21(5)30(34)35-29(25)15-19(3)26-11-12-27-22(8-7-13-31(26,27)6)9-10-23-16-24(32)17-28(33)20(23)4/h9-10,18-19,24-29,32-33H,4-5,7-8,11-17H2,1-3,6H3/b22-9+,23-10-/t19-,24-,25-,26-,27+,28+,29+,31-/m1/s1
C31H46O4482.69455400
10166346

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H46O4/c1-6-7-10-25-21(4)30(34)35-29(25)16-19(2)26-13-14-27-22(9-8-15-31(26,27)5)11-12-23-17-24(32)18-28(33)20(23)3/h11-12,19,24-29,32-33H,3-4,6-10,13-18H2,1-2,5H3/b22-11+,23-12-/t19-,24-,25+,26-,27+,28+,29-,31-/m1/s1
C31H46O4482.69455400
26639252

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C31H46O4/c1-19(2)21(5)9-10-22(28(34)35)24-13-17-31(8)26-12-11-23(20(3)4)29(6,16-15-27(32)33)25(26)14-18-30(24,31)7/h12,14,19,22-24H,3,5,9-11,13,15-18H2,1-2,4,6-8H3,(H,32,33)(H,34,35)/t22-,23+,24-,29+,30-,31+/m1/s1
C31H46O4482.69455600
27474971

5 of 7 defined stereocentres - 5/7 defined
InChI=1/C31H46O4/c1-26(2)13-15-31(25(34)35-8)16-14-30(7)24(19(31)18-26)20(32)17-22-28(5)11-10-23(33)27(3,4)21(28)9-12-29(22,30)6/h17,19,21,24H,9-16,18H2,1-8H3/t19-,21?,24-,28+,29+,30+,31?/m1/s1
C31H46O4482.69455300
35013446

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C31H46O4/c1-11-24(10)26(32)25-27(33)30(16-12-20(2)3,17-13-21(4)5)29(35)31(28(25)34,18-14-22(6)7)19-15-23(8)9/h12-15,24,33H,11,16-19H2,1-10H3
C31H46O4482.69455500
95601287

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H46O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h11,13,18,20,23-24,26,32H,3,9-10,12,14-17H2,1-2,4-8H3,(H,34,35)/t20-,23+,24?,26-,29+,30+,31-/m0/s1
C31H46O4482.69455500
243999

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C31H46O4/c1-26(2)17-20-19-9-10-22-28(5)13-12-23(32)27(3,4)21(28)11-14-30(22,7)29(19,6)15-16-31(20,18-24(26)33)25(34)35-8/h9,20-22H,10-18H2,1-8H3
C31H46O4482.69455400
4945570

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C31H46O4/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-31(6,35-34)21-19-26-25(5)29(32)27-17-7-8-18-28(27)30(26)33/h7-8,17-19,21-24,34H,9-16,20H2,1-6H3/b21-19+
C31H46O4482.69455500
12345

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