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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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Single/Multi-component
Isotopically Labeled
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Found 275 results

Search term: C31H50O3 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
83864

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H50O3/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/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
C31H50O3470.7269504403
66183

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1
C31H50O3470.7269373700
552284

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22+,23-,24+,25+,28+,29-,30-,31+/m1/s1
C31H50O3470.726929241216
66119

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H50O3/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/h19,21-22,25-26,32H,3,9-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1
C31H50O3470.7269242100
2278308

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C31H50O3/c1-19(2)20(3)8-9-21(4)22-12-14-28(6)23-10-11-24-29(7,26(33)34)25(32)13-15-30(24)18-31(23,30)17-16-27(22,28)5/h19,21-25,32H,3,8-18H2,1-2,4-7H3,(H,33,34)/t21-,22-,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1
C31H50O3470.726900000001181300
2797278

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H50O3/c1-3-5-7-9-10-11-12-14-24-34-29-22-20-28(21-23-29)31(33)25-30(32)27-18-16-26(17-19-27)15-13-8-6-4-2/h20-23,26-27H,3-19,24-25H2,1-2H3
C31H50O3470.72690000000114900
28425534

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O3/c1-21(10-9-15-26(2,3)33-8)22-13-16-29(7)23-14-17-31-24(11-12-25(32)27(31,4)5)30(23,20-34-31)19-18-28(22,29)6/h9,14-15,17,21-25,32H,10-13,16,18-20H2,1-8H3/b15-9+/t21-,22-,23+,24+,25+,28-,29+,30+,31-/m1/s1
C31H50O3470.7269141200
374675

0 of 10 defined stereocentres - 0/10 defined
InChI=1/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3
C31H50O3470.7269101000
2145287

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3
C31H50O3470.72690000000110500
17466608

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C31H50O3/c1-19-11-16-31(26(33)34-8)18-17-29(6)21(25(31)20(19)2)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h9,19-20,22-25,32H,10-18H2,1-8H3/t19-,20+,22?,23?,24-,25+,28+,29-,30-,31+/m1/s1
C31H50O3470.72698400
17468315

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H50O3/c1-5-6-7-8-9-10-11-12-29(33)34-24-17-19-30(3)23(21-24)13-14-25-27-16-15-26(22(2)32)31(27,4)20-18-28(25)30/h15,23-25,27-28H,5-14,16-21H2,1-4H3/t23-,24-,25-,27-,28-,30-,31+/m0/s1
C31H50O3470.72698500
94203

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C31H50O3/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/h7,11,21-22,24-28H,1,8-10,12-20H2,2-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1
C31H50O3470.72697600
207737

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C31H50O3/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/h19,21-22,25-26,32H,3,9-18H2,1-2,4-8H3,(H,33,34)
C31H50O3470.72697400
2035028

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C31H50O3/c1-19(2)26(33)13-9-20(3)23-11-12-24-22-10-14-27-29(5,6)28(34-21(4)32)16-18-31(27,8)25(22)15-17-30(23,24)7/h19-20,23-24,27-28H,9-18H2,1-8H3/t20?,23?,24?,27?,28?,30-,31-/m1/s1
C31H50O3470.7269000000016400
19983100

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C31H50O3/c1-20(2)9-8-10-21(3)22-14-18-31(19-27(33)34)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)13-17-30(22,31)7/h14,18,20-22,25-26,32H,8-13,15-17,19H2,1-7H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31-/m1/s1
C31H50O3470.72696500
3346775

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C31H50O3/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-23-19-24(34-29(33)18-22(4)32)14-16-30(23,5)28(25)15-17-31(26,27)6/h10,20-21,24-28H,7-9,11-19H2,1-6H3
C31H50O3470.7269000000016300
8180526

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C31H50O3/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/h19,21-22,25-26,32H,3,9-18H2,1-2,4-8H3,(H,33,34)/t21?,22-,25+,26+,29-,30-,31+/m1/s1
C31H50O3470.72696500
8542918

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29-,30+,31+/m0/s1
C31H50O3470.72696400
26392527

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C31H50O3/c1-20(10-9-13-26(2,3)34-8)21-11-14-29(7)25-22(32)18-23-27(4,5)24(33)12-15-30(23)19-31(25,30)17-16-28(21,29)6/h9,13,20-23,25,32H,10-12,14-19H2,1-8H3/b13-9+/t20-,21-,22+,23+,25+,28-,29+,30-,31+/m1/s1
C31H50O3470.72696700
20473407

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C31H50O3/c1-26(2)22-11-14-31(7)23(29(22,5)13-12-24(26)32)10-9-20-21-19-28(4,25(33)34-8)16-15-27(21,3)17-18-30(20,31)6/h9,21-24,32H,10-19H2,1-8H3/t21-,22?,23?,24?,27+,28-,29-,30+,31+/m0/s1
C31H50O3470.72695300
12345

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