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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 48 results

Search term: C34H54O9 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
71117169

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C34H54O9/c1-7-21-10-9-11-28(35)18(3)30(37)27-16-25-23(26(27)17-29(36)42-21)13-12-20-14-22(15-24(20)25)43-34-33(39-6)32(40-8-2)31(38-5)19(4)41-34/h16,18-26,28,31-35H,7-15,17H2,1-6H3/t18-,19+,20-,21+,22-,23-,24-,25-,26+,28+,31+,32-,33-,34+/m1/s1
C34H54O9606.78729900
9192674

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H54O9/c1-10-13-25(36)41-23-17-34(9)24(42-26(37)14-11-2)18-33(8)22(29(34)28(23)19(4)5)16-20(6)30(39)31(40-21(7)35)32(33)43-27(38)15-12-3/h16,19,22-24,28-32,39H,10-15,17-18H2,1-9H3/t22-,23+,24+,28+,29+,30+,31+,32-,33-,34+/m1/s1
C34H54O9606.78726500
9289844

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H54O9/c1-10-13-25(36)41-23-17-34(9)24(42-26(37)14-11-2)18-33(8)22(29(34)28(23)19(4)5)16-20(6)31(40-21(7)35)30(39)32(33)43-27(38)15-12-3/h16,19,22-24,28-32,39H,10-15,17-18H2,1-9H3/t22-,23+,24+,28+,29+,30+,31+,32-,33-,34+/m1/s1
C34H54O9606.78726500
9127398

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H54O9/c1-10-13-25(36)41-23-17-34(9)24(42-26(37)14-11-2)18-33(8)22(29(34)28(23)19(4)5)16-20(6)30(40-21(7)35)31(32(33)39)43-27(38)15-12-3/h16,19,22-24,28-32,39H,10-15,17-18H2,1-9H3/t22-,23+,24+,28+,29+,30+,31+,32-,33-,34+/m1/s1
C34H54O9606.78725400
9138299

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C34H54O9/c1-18-7-9-25-20(3)27(36-29-33(25)23(18)11-13-31(5,38-29)40-42-33)15-22(17-35)16-28-21(4)26-10-8-19(2)24-12-14-32(6)39-30(37-28)34(24,26)43-41-32/h18-30,35H,7-17H2,1-6H3/t18-,19-,20-,21-,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34-/m1/s1
C34H54O9606.78725400
22842365

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C34H54O9/c1-7-8-9-10-11-21(2)14-23(4)16-24(19-35)15-22(3)12-13-28(39)34(5,6)29-18-26(37)30(33(41)43-29)32-31(40)27(38)17-25(20-36)42-32/h12-13,15-16,18,21,24-25,27-28,31-32,35-40H,7-11,14,17,19-20H2,1-6H3/b13-12+,22-15+,23-16-/t21?,24?,25-,27-,28?,31+,32-/m1/s1
C34H54O9606.78724300
433612

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C34H54O9/c1-17-13-32(7,39)43-21-14-31(6)22-12-20(41-18(2)35)27-29(3,4)23(42-28-26(38)25(37)19(36)15-40-28)8-9-34(27)16-33(22,34)11-10-30(31,5)24(17)21/h17,19-28,36-39H,8-16H2,1-7H3
C34H54O9606.78724300
4944336

Double-bond stereo

5 of 11 defined stereocentres - 5/11 defined
InChI=1/C34H54O9/c1-9-33(5,6)41-18-27-29(36)30(37)31(38)32(43-27)42-26-14-19(2)23-11-10-22(17-39-8)25(23)15-34(7)13-12-24(28(26)34)20(3)16-40-21(4)35/h9,15,19-20,22-23,26-27,29-32,36-38H,1,10-14,16-18H2,2-8H3/b25-15-/t19?,20?,22?,23?,26?,27-,29-,30+,31-,32+,34?/m1/s1
C34H54O9606.78723300
31146240

Double-bond stereo

4 of 7 defined stereocentres - 4/7 defined
InChI=1/C34H54O9/c1-7-8-9-10-11-21(2)14-23(4)16-24(19-35)15-22(3)12-13-28(39)34(5,6)29-18-26(37)30(33(41)43-29)32-31(40)27(38)17-25(20-36)42-32/h12-13,15-16,18,21,24-25,27-28,31-32,35-40H,7-11,14,17,19-20H2,1-6H3/b13-12+,22-15+,23-16-/t21?,24?,25-,27-,28?,31+,32-/m0/s1
C34H54O9606.78723300
9300016

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H54O9/c1-23(2)34-25(4)15-16-26(35)17-27(36)18-28(37)19-29(38)20-30(39)21-31(40)22-32(41)24(3)13-11-9-7-5-6-8-10-12-14-33(42)43-34/h5-16,23-32,34-41H,17-22H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,16-15+/t24-,25-,26-,27-,28+,29-,30+,31+,32+,34-/m0/s1
C34H54O9606.78723200
20579906

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C34H54O9/c1-18(2)7-10-26(37)19(3)34(40)28(43-31-30(42-20(4)35)29(39)27(38)17-41-31)16-25-23-9-8-21-15-22(36)11-13-32(21,5)24(23)12-14-33(25,34)6/h8,18-19,22-25,27-31,36,38-40H,7,9-17H2,1-6H3/t19-,22+,23-,24+,25+,27+,28+,29+,30-,31+,32+,33+,34-/m1/s1
C34H54O9606.78723300
8252966

11 of 11 defined stereocentres - 11/11 defined
InChI=1/C34H54O9/c1-19(9-12-29(38)40-8)24-10-11-25-30-26(17-28(33(24,25)7)43-21(3)36)34(18-41-31(39)32(4,5)6)14-13-23(42-20(2)35)15-22(34)16-27(30)37/h19,22-28,30,37H,9-18H2,1-8H3/t19-,22+,23-,24-,25+,26+,27-,28+,30+,33-,34-/m1/s1
C34H54O9606.78722100
8275756

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H54O9/c1-20(16-28(35)32(3,4)41-19-38-7)21(2)25-12-13-26-24-11-10-22-17-23(42-30(36)39-8)18-29(43-31(37)40-9)34(22,6)27(24)14-15-33(25,26)5/h10-11,20-21,23,25-29,35H,12-19H2,1-9H3/t20-,21+,23+,25+,26-,27-,28-,29-,33+,34-/m0/s1
C34H54O9606.78722100
8524160

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H54O9/c1-20(16-28(35)32(3,4)41-19-38-7)21(2)25-12-13-26-24-11-10-22-17-23(42-30(36)39-8)18-29(43-31(37)40-9)34(22,6)27(24)14-15-33(25,26)5/h10-11,20-21,23,25-29,35H,12-19H2,1-9H3/t20-,21-,23-,25-,26+,27+,28+,29+,33-,34+/m1/s1
C34H54O9606.78722100
8569344

Double-bond stereo

8 of 10 defined stereocentres - 8/10 defined
InChI=1/C34H54O9/c1-23(2)34-25(4)15-16-26(35)17-27(36)18-28(37)19-29(38)20-30(39)21-31(40)22-32(41)24(3)13-11-9-7-5-6-8-10-12-14-33(42)43-34/h5-16,23-32,34-41H,17-22H2,1-4H3/b6-5+,9-7-,10-8+,13-11-,14-12+,16-15+/t24-,25+,26-,27-,28+,29-,30+,31+,32?,34?/m1/s1
C34H54O9606.78722100
8591682

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C34H54O9/c1-18-7-9-25-20(3)27(36-29-33(25)23(18)11-13-31(5,38-29)40-42-33)15-22(17-35)16-28-21(4)26-10-8-19(2)24-12-14-32(6)39-30(37-28)34(24,26)43-41-32/h18-30,35H,7-17H2,1-6H3/t18-,19-,20-,21-,23+,24+,25+,26+,27-,28-,29-,30-,31+,32+,33-,34-/m1/s1
C34H54O9606.78722100
8683298

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H54O9/c1-20(16-28(35)32(3,4)41-19-38-7)21(2)25-12-13-26-24-11-10-22-17-23(42-30(36)39-8)18-29(43-31(37)40-9)34(22,6)27(24)14-15-33(25,26)5/h10-11,20-21,23,25-29,35H,12-19H2,1-9H3/t20-,21-,23+,25+,26-,27-,28-,29-,33+,34-/m0/s1
C34H54O9606.78722100
8874261

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H54O9/c1-20(16-28(35)32(3,4)41-19-38-7)21(2)25-12-13-26-24-11-10-22-17-23(42-30(36)39-8)18-29(43-31(37)40-9)34(22,6)27(24)14-15-33(25,26)5/h10-11,20-21,23,25-29,35H,12-19H2,1-9H3/t20-,21-,23+,25+,26-,27-,28+,29-,33+,34-/m0/s1
C34H54O9606.78722100
8945309

9 of 10 defined stereocentres - 9/10 defined
InChI=1/C34H54O9/c1-20(16-28(35)32(3,4)41-19-38-7)21(2)25-12-13-26-24-11-10-22-17-23(42-30(36)39-8)18-29(43-31(37)40-9)34(22,6)27(24)14-15-33(25,26)5/h10-11,20-21,23,25-29,35H,12-19H2,1-9H3/t20-,21+,23-,25-,26+,27+,28?,29+,33-,34+/m1/s1
C34H54O9606.78722100
9072603

Double-bond stereo

10 of 10 defined stereocentres - 10/10 defined
InChI=1/C34H54O9/c1-23(2)34-25(4)15-16-26(35)17-27(36)18-28(37)19-29(38)20-30(39)21-31(40)22-32(41)24(3)13-11-9-7-5-6-8-10-12-14-33(42)43-34/h5-16,23-32,34-41H,17-22H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,16-15+/t24-,25-,26-,27-,28+,29-,30+,31+,32+,34-/m1/s1
C34H54O9606.78722100
123

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